USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 814 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 SER OG : rot -38:sc= 1.53 USER MOD Set 1.2: A 111 TYR OH : rot 30:sc= -2.05 USER MOD Single : A 3 HIS : no HD1:sc= -2.22 K(o=-2.2,f=-3.2!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0168 USER MOD Single : A 19 ASN : amide:sc= -0.455 X(o=-0.46,f=-0.03) USER MOD Single : A 23 SER OG : rot -71:sc= -0.706 USER MOD Single : A 28 THR OG1 : rot 180:sc=-0.00431 USER MOD Single : A 31 SER OG : rot 57:sc= -0.793 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0755 USER MOD Single : A 36 LYS NZ :NH3+ -165:sc= -0.0458 (180deg=-0.38) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -57:sc= 0.144 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -6.6! C(o=-6.6!,f=-12!) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -159:sc= -0.443 (180deg=-1.28) USER MOD Single : A 65 LYS NZ :NH3+ -138:sc= 0.406 (180deg=-0.486) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.155 K(o=-0.16,f=-1.1!) USER MOD Single : A 78 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.3!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.451 X(o=-0.45,f=-0.17) USER MOD Single : A 88 MET CE :methyl -171:sc= -1.74 (180deg=-2.25!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.09 K(o=-0.09,f=-1.5!) USER MOD Single : A 93 ASN : amide:sc= -0.306 K(o=-0.31,f=-2.7!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.811 K(o=-0.81,f=-1.9) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 106:sc= 1.11 USER MOD Single : A 105 GLN : amide:sc= -2.31 X(o=-2.3,f=-1.9) USER MOD Single : A 106 GLN : amide:sc= 0.0754 X(o=0.075,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.0385) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 -8.445 10.624 7.655 1.00 0.00 N ATOM 29 CA HIS A 3 -7.593 9.481 7.961 1.00 0.00 C ATOM 30 C HIS A 3 -8.365 8.174 7.821 1.00 0.00 C ATOM 31 O HIS A 3 -8.189 7.249 8.613 1.00 0.00 O ATOM 32 CB HIS A 3 -7.029 9.604 9.378 1.00 0.00 C ATOM 33 CG HIS A 3 -5.768 10.406 9.454 1.00 0.00 C ATOM 34 ND1 HIS A 3 -5.697 11.735 9.095 1.00 0.00 N ATOM 35 CD2 HIS A 3 -4.519 10.059 9.851 1.00 0.00 C ATOM 36 CE1 HIS A 3 -4.461 12.171 9.267 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.728 11.174 9.726 1.00 0.00 N ATOM 0 HA HIS A 3 -6.768 9.473 7.248 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.781 10.063 10.021 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.839 8.606 9.772 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.205 9.087 10.200 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.111 13.173 9.066 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -2.734 11.224 9.951 1.00 0.00 H new ATOM 46 N SER A 4 -9.222 8.104 6.806 1.00 0.00 N ATOM 47 CA SER A 4 -10.020 6.908 6.562 1.00 0.00 C ATOM 48 C SER A 4 -10.935 7.094 5.354 1.00 0.00 C ATOM 49 O SER A 4 -11.591 8.126 5.210 1.00 0.00 O ATOM 50 CB SER A 4 -10.857 6.567 7.797 1.00 0.00 C ATOM 51 OG SER A 4 -11.628 7.681 8.214 1.00 0.00 O ATOM 0 H SER A 4 -9.381 8.861 6.141 1.00 0.00 H new ATOM 0 HA SER A 4 -9.335 6.086 6.353 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.516 5.728 7.573 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.202 6.250 8.608 1.00 0.00 H new ATOM 0 HG SER A 4 -12.155 7.437 9.003 1.00 0.00 H new ATOM 57 N GLY A 5 -10.978 6.082 4.494 1.00 0.00 N ATOM 58 CA GLY A 5 -11.819 6.138 3.315 1.00 0.00 C ATOM 59 C GLY A 5 -12.309 4.763 2.916 1.00 0.00 C ATOM 60 O GLY A 5 -11.691 3.759 3.264 1.00 0.00 O ATOM 0 H GLY A 5 -10.442 5.220 4.594 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.673 6.788 3.507 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.261 6.580 2.490 1.00 0.00 H new ATOM 64 N ALA A 6 -13.416 4.707 2.189 1.00 0.00 N ATOM 65 CA ALA A 6 -13.969 3.430 1.762 1.00 0.00 C ATOM 66 C ALA A 6 -13.097 2.799 0.684 1.00 0.00 C ATOM 67 O ALA A 6 -13.075 3.254 -0.460 1.00 0.00 O ATOM 68 CB ALA A 6 -15.395 3.609 1.269 1.00 0.00 C ATOM 0 H ALA A 6 -13.945 5.524 1.885 1.00 0.00 H new ATOM 0 HA ALA A 6 -13.985 2.756 2.619 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -15.794 2.645 0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -16.010 4.011 2.074 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -15.404 4.300 0.426 1.00 0.00 H new ATOM 74 N ALA A 7 -12.370 1.753 1.065 1.00 0.00 N ATOM 75 CA ALA A 7 -11.481 1.059 0.139 1.00 0.00 C ATOM 76 C ALA A 7 -11.945 -0.375 -0.103 1.00 0.00 C ATOM 77 O ALA A 7 -12.556 -0.993 0.767 1.00 0.00 O ATOM 78 CB ALA A 7 -10.054 1.071 0.673 1.00 0.00 C ATOM 0 H ALA A 7 -12.379 1.367 2.009 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.508 1.585 -0.815 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.400 0.550 -0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.717 2.101 0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.023 0.570 1.641 1.00 0.00 H new ATOM 84 N ILE A 8 -11.647 -0.900 -1.289 1.00 0.00 N ATOM 85 CA ILE A 8 -12.032 -2.263 -1.638 1.00 0.00 C ATOM 86 C ILE A 8 -10.854 -3.217 -1.506 1.00 0.00 C ATOM 87 O ILE A 8 -9.726 -2.878 -1.863 1.00 0.00 O ATOM 88 CB ILE A 8 -12.587 -2.349 -3.077 1.00 0.00 C ATOM 89 CG1 ILE A 8 -13.985 -1.743 -3.133 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.614 -3.790 -3.583 1.00 0.00 C ATOM 91 CD1 ILE A 8 -14.044 -0.489 -3.952 1.00 0.00 C ATOM 0 H ILE A 8 -11.141 -0.403 -2.022 1.00 0.00 H new ATOM 0 HA ILE A 8 -12.816 -2.554 -0.939 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.922 -1.782 -3.729 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -14.677 -2.476 -3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -14.322 -1.525 -2.120 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.010 -3.812 -4.598 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.602 -4.196 -3.579 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -13.249 -4.392 -2.933 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.064 -0.104 -3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.376 0.257 -3.523 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.736 -0.707 -4.974 1.00 0.00 H new ATOM 103 N PHE A 9 -11.125 -4.420 -1.017 1.00 0.00 N ATOM 104 CA PHE A 9 -10.086 -5.426 -0.872 1.00 0.00 C ATOM 105 C PHE A 9 -10.268 -6.501 -1.933 1.00 0.00 C ATOM 106 O PHE A 9 -11.170 -7.331 -1.839 1.00 0.00 O ATOM 107 CB PHE A 9 -10.128 -6.049 0.525 1.00 0.00 C ATOM 108 CG PHE A 9 -8.933 -6.905 0.836 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.657 -6.492 0.487 1.00 0.00 C ATOM 110 CD2 PHE A 9 -9.086 -8.124 1.477 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.556 -7.278 0.771 1.00 0.00 C ATOM 112 CE2 PHE A 9 -7.988 -8.915 1.764 1.00 0.00 C ATOM 113 CZ PHE A 9 -6.722 -8.491 1.410 1.00 0.00 C ATOM 0 H PHE A 9 -12.052 -4.720 -0.716 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.114 -4.950 -1.003 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -10.198 -5.254 1.267 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -11.031 -6.652 0.618 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.521 -5.544 -0.013 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -10.074 -8.460 1.756 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.567 -6.944 0.494 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -8.121 -9.863 2.264 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.863 -9.107 1.633 1.00 0.00 H new ATOM 123 N GLU A 10 -9.412 -6.474 -2.948 1.00 0.00 N ATOM 124 CA GLU A 10 -9.479 -7.437 -4.039 1.00 0.00 C ATOM 125 C GLU A 10 -10.692 -7.186 -4.927 1.00 0.00 C ATOM 126 O GLU A 10 -10.562 -6.950 -6.129 1.00 0.00 O ATOM 127 CB GLU A 10 -9.514 -8.865 -3.493 1.00 0.00 C ATOM 128 CG GLU A 10 -8.433 -9.149 -2.463 1.00 0.00 C ATOM 129 CD GLU A 10 -7.879 -10.555 -2.574 1.00 0.00 C ATOM 130 OE1 GLU A 10 -7.673 -11.024 -3.713 1.00 0.00 O ATOM 131 OE2 GLU A 10 -7.649 -11.188 -1.522 1.00 0.00 O ATOM 0 H GLU A 10 -8.660 -5.791 -3.037 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.582 -7.312 -4.646 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.490 -9.049 -3.044 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.407 -9.565 -4.322 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.622 -8.432 -2.586 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.841 -9.001 -1.463 1.00 0.00 H new ATOM 138 N LYS A 11 -11.867 -7.245 -4.324 1.00 0.00 N ATOM 139 CA LYS A 11 -13.125 -7.032 -5.040 1.00 0.00 C ATOM 140 C LYS A 11 -14.262 -6.668 -4.082 1.00 0.00 C ATOM 141 O LYS A 11 -15.329 -6.235 -4.516 1.00 0.00 O ATOM 142 CB LYS A 11 -13.523 -8.285 -5.834 1.00 0.00 C ATOM 143 CG LYS A 11 -12.349 -9.109 -6.341 1.00 0.00 C ATOM 144 CD LYS A 11 -12.816 -10.396 -7.001 1.00 0.00 C ATOM 145 CE LYS A 11 -11.697 -11.422 -7.074 1.00 0.00 C ATOM 146 NZ LYS A 11 -12.124 -12.661 -7.783 1.00 0.00 N ATOM 0 H LYS A 11 -11.982 -7.441 -3.330 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.962 -6.201 -5.727 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.148 -8.916 -5.203 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.133 -7.982 -6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.772 -8.521 -7.055 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.683 -9.345 -5.511 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.655 -10.810 -6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.179 -10.180 -8.006 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.839 -10.988 -7.587 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.370 -11.675 -6.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.333 -13.335 -7.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.926 -13.090 -7.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.412 -12.424 -8.754 1.00 0.00 H new ATOM 160 N VAL A 12 -14.035 -6.843 -2.780 1.00 0.00 N ATOM 161 CA VAL A 12 -15.047 -6.531 -1.782 1.00 0.00 C ATOM 162 C VAL A 12 -14.821 -5.142 -1.211 1.00 0.00 C ATOM 163 O VAL A 12 -13.722 -4.817 -0.761 1.00 0.00 O ATOM 164 CB VAL A 12 -15.048 -7.560 -0.633 1.00 0.00 C ATOM 165 CG1 VAL A 12 -13.719 -7.551 0.106 1.00 0.00 C ATOM 166 CG2 VAL A 12 -16.201 -7.292 0.326 1.00 0.00 C ATOM 0 H VAL A 12 -13.159 -7.199 -2.397 1.00 0.00 H new ATOM 0 HA VAL A 12 -16.015 -6.569 -2.281 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.185 -8.551 -1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.745 -8.285 0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.916 -7.801 -0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.542 -6.560 0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.185 -8.028 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.098 -6.292 0.748 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -17.146 -7.363 -0.212 1.00 0.00 H new ATOM 176 N SER A 13 -15.856 -4.319 -1.241 1.00 0.00 N ATOM 177 CA SER A 13 -15.745 -2.965 -0.732 1.00 0.00 C ATOM 178 C SER A 13 -15.910 -2.926 0.779 1.00 0.00 C ATOM 179 O SER A 13 -16.731 -3.647 1.348 1.00 0.00 O ATOM 180 CB SER A 13 -16.773 -2.051 -1.395 1.00 0.00 C ATOM 181 OG SER A 13 -18.049 -2.665 -1.442 1.00 0.00 O ATOM 0 H SER A 13 -16.775 -4.563 -1.610 1.00 0.00 H new ATOM 0 HA SER A 13 -14.745 -2.605 -0.975 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.838 -1.113 -0.844 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.447 -1.805 -2.406 1.00 0.00 H new ATOM 0 HG SER A 13 -18.689 -2.058 -1.870 1.00 0.00 H new ATOM 187 N GLY A 14 -15.120 -2.076 1.422 1.00 0.00 N ATOM 188 CA GLY A 14 -15.182 -1.945 2.862 1.00 0.00 C ATOM 189 C GLY A 14 -14.853 -0.542 3.320 1.00 0.00 C ATOM 190 O GLY A 14 -15.305 0.435 2.723 1.00 0.00 O ATOM 0 H GLY A 14 -14.434 -1.473 0.968 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.180 -2.214 3.207 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.486 -2.648 3.320 1.00 0.00 H new ATOM 194 N ILE A 15 -14.059 -0.440 4.377 1.00 0.00 N ATOM 195 CA ILE A 15 -13.665 0.856 4.909 1.00 0.00 C ATOM 196 C ILE A 15 -12.211 0.848 5.340 1.00 0.00 C ATOM 197 O ILE A 15 -11.815 0.078 6.211 1.00 0.00 O ATOM 198 CB ILE A 15 -14.526 1.263 6.119 1.00 0.00 C ATOM 199 CG1 ILE A 15 -15.994 0.883 5.889 1.00 0.00 C ATOM 200 CG2 ILE A 15 -14.380 2.755 6.394 1.00 0.00 C ATOM 201 CD1 ILE A 15 -16.721 1.777 4.909 1.00 0.00 C ATOM 0 H ILE A 15 -13.676 -1.239 4.882 1.00 0.00 H new ATOM 0 HA ILE A 15 -13.812 1.577 4.105 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.175 0.720 6.997 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -16.039 -0.145 5.528 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -16.518 0.909 6.844 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -14.994 3.029 7.252 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.336 2.985 6.607 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.705 3.320 5.520 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -17.752 1.439 4.804 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -16.711 2.803 5.276 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -16.225 1.734 3.940 1.00 0.00 H new ATOM 213 N ILE A 16 -11.422 1.723 4.743 1.00 0.00 N ATOM 214 CA ILE A 16 -10.016 1.827 5.083 1.00 0.00 C ATOM 215 C ILE A 16 -9.819 2.969 6.068 1.00 0.00 C ATOM 216 O ILE A 16 -10.202 4.105 5.800 1.00 0.00 O ATOM 217 CB ILE A 16 -9.148 2.021 3.813 1.00 0.00 C ATOM 218 CG1 ILE A 16 -8.476 0.701 3.440 1.00 0.00 C ATOM 219 CG2 ILE A 16 -8.097 3.109 3.990 1.00 0.00 C ATOM 220 CD1 ILE A 16 -7.525 0.808 2.266 1.00 0.00 C ATOM 0 H ILE A 16 -11.732 2.372 4.020 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.692 0.898 5.552 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.811 2.341 3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.929 0.326 4.305 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.246 -0.034 3.206 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.516 3.206 3.073 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.588 4.057 4.210 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.434 2.844 4.814 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.088 -0.169 2.062 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.070 1.153 1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.733 1.518 2.503 1.00 0.00 H new ATOM 232 N ALA A 17 -9.244 2.659 7.217 1.00 0.00 N ATOM 233 CA ALA A 17 -9.031 3.667 8.243 1.00 0.00 C ATOM 234 C ALA A 17 -7.688 3.484 8.937 1.00 0.00 C ATOM 235 O ALA A 17 -7.316 2.374 9.318 1.00 0.00 O ATOM 236 CB ALA A 17 -10.175 3.624 9.246 1.00 0.00 C ATOM 0 H ALA A 17 -8.918 1.724 7.463 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.012 4.647 7.767 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.014 4.380 10.014 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.116 3.823 8.733 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.215 2.638 9.710 1.00 0.00 H new ATOM 242 N ILE A 18 -6.960 4.586 9.094 1.00 0.00 N ATOM 243 CA ILE A 18 -5.652 4.560 9.735 1.00 0.00 C ATOM 244 C ILE A 18 -5.776 4.692 11.251 1.00 0.00 C ATOM 245 O ILE A 18 -6.352 5.654 11.757 1.00 0.00 O ATOM 246 CB ILE A 18 -4.748 5.689 9.201 1.00 0.00 C ATOM 247 CG1 ILE A 18 -4.696 5.648 7.672 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.348 5.577 9.787 1.00 0.00 C ATOM 249 CD1 ILE A 18 -5.800 6.438 7.005 1.00 0.00 C ATOM 0 H ILE A 18 -7.257 5.511 8.784 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.200 3.597 9.497 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.170 6.646 9.508 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.733 6.035 7.339 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.754 4.610 7.343 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.725 6.383 9.398 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.401 5.652 10.873 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.913 4.616 9.510 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.698 6.363 5.922 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.768 6.038 7.307 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.731 7.484 7.304 1.00 0.00 H new ATOM 261 N ASN A 19 -5.225 3.717 11.968 1.00 0.00 N ATOM 262 CA ASN A 19 -5.265 3.720 13.426 1.00 0.00 C ATOM 263 C ASN A 19 -4.092 4.506 14.000 1.00 0.00 C ATOM 264 O ASN A 19 -3.001 3.968 14.182 1.00 0.00 O ATOM 265 CB ASN A 19 -5.242 2.286 13.959 1.00 0.00 C ATOM 266 CG ASN A 19 -6.111 2.113 15.189 1.00 0.00 C ATOM 267 OD1 ASN A 19 -7.216 1.577 15.112 1.00 0.00 O ATOM 268 ND2 ASN A 19 -5.614 2.568 16.334 1.00 0.00 N ATOM 0 H ASN A 19 -4.745 2.914 11.562 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.191 4.203 13.739 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.582 1.606 13.178 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.216 2.007 14.200 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.153 2.479 17.195 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.693 3.006 16.352 1.00 0.00 H new ATOM 275 N GLU A 20 -4.328 5.782 14.288 1.00 0.00 N ATOM 276 CA GLU A 20 -3.292 6.642 14.846 1.00 0.00 C ATOM 277 C GLU A 20 -3.405 6.715 16.366 1.00 0.00 C ATOM 278 O GLU A 20 -2.954 7.678 16.986 1.00 0.00 O ATOM 279 CB GLU A 20 -3.385 8.046 14.247 1.00 0.00 C ATOM 280 CG GLU A 20 -2.820 8.146 12.839 1.00 0.00 C ATOM 281 CD GLU A 20 -2.050 9.432 12.611 1.00 0.00 C ATOM 282 OE1 GLU A 20 -0.909 9.537 13.107 1.00 0.00 O ATOM 283 OE2 GLU A 20 -2.589 10.334 11.936 1.00 0.00 O ATOM 0 H GLU A 20 -5.227 6.242 14.144 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.323 6.211 14.592 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.429 8.358 14.233 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.853 8.744 14.893 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.164 7.296 12.653 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.636 8.082 12.119 1.00 0.00 H new ATOM 290 N ASP A 21 -4.003 5.688 16.960 1.00 0.00 N ATOM 291 CA ASP A 21 -4.168 5.632 18.407 1.00 0.00 C ATOM 292 C ASP A 21 -3.152 4.678 19.035 1.00 0.00 C ATOM 293 O ASP A 21 -3.032 4.606 20.257 1.00 0.00 O ATOM 294 CB ASP A 21 -5.589 5.188 18.761 1.00 0.00 C ATOM 295 CG ASP A 21 -6.130 5.904 19.984 1.00 0.00 C ATOM 296 OD1 ASP A 21 -5.775 7.085 20.185 1.00 0.00 O ATOM 297 OD2 ASP A 21 -6.908 5.284 20.739 1.00 0.00 O ATOM 0 H ASP A 21 -4.382 4.883 16.461 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.996 6.631 18.807 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.247 5.375 17.913 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.597 4.113 18.939 1.00 0.00 H new ATOM 302 N VAL A 22 -2.423 3.949 18.192 1.00 0.00 N ATOM 303 CA VAL A 22 -1.421 3.004 18.673 1.00 0.00 C ATOM 304 C VAL A 22 -0.015 3.560 18.478 1.00 0.00 C ATOM 305 O VAL A 22 0.156 4.692 18.028 1.00 0.00 O ATOM 306 CB VAL A 22 -1.533 1.650 17.947 1.00 0.00 C ATOM 307 CG1 VAL A 22 -2.927 1.066 18.116 1.00 0.00 C ATOM 308 CG2 VAL A 22 -1.186 1.800 16.471 1.00 0.00 C ATOM 0 H VAL A 22 -2.508 3.995 17.177 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.607 2.851 19.736 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.817 0.961 18.396 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.986 0.110 17.596 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.133 0.916 19.176 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.662 1.753 17.697 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.271 0.832 15.977 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.873 2.507 16.006 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.165 2.169 16.373 1.00 0.00 H new ATOM 318 N SER A 23 0.994 2.755 18.804 1.00 0.00 N ATOM 319 CA SER A 23 2.377 3.185 18.639 1.00 0.00 C ATOM 320 C SER A 23 2.689 3.340 17.153 1.00 0.00 C ATOM 321 O SER A 23 2.913 4.453 16.679 1.00 0.00 O ATOM 322 CB SER A 23 3.343 2.199 19.304 1.00 0.00 C ATOM 323 OG SER A 23 2.659 1.053 19.783 1.00 0.00 O ATOM 0 H SER A 23 0.881 1.813 19.179 1.00 0.00 H new ATOM 0 HA SER A 23 2.508 4.149 19.130 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.107 1.896 18.588 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.857 2.691 20.130 1.00 0.00 H new ATOM 0 HG SER A 23 2.118 1.297 20.563 1.00 0.00 H new ATOM 329 N PRO A 24 2.677 2.233 16.384 1.00 0.00 N ATOM 330 CA PRO A 24 2.927 2.279 14.952 1.00 0.00 C ATOM 331 C PRO A 24 1.634 2.478 14.180 1.00 0.00 C ATOM 332 O PRO A 24 0.795 1.579 14.115 1.00 0.00 O ATOM 333 CB PRO A 24 3.496 0.899 14.678 1.00 0.00 C ATOM 334 CG PRO A 24 2.755 0.008 15.618 1.00 0.00 C ATOM 335 CD PRO A 24 2.395 0.852 16.826 1.00 0.00 C ATOM 0 HA PRO A 24 3.582 3.097 14.653 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.340 0.602 13.641 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.570 0.867 14.861 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.859 -0.393 15.145 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.370 -0.843 15.910 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.349 0.726 17.105 1.00 0.00 H new ATOM 0 HD3 PRO A 24 2.992 0.580 17.697 1.00 0.00 H new ATOM 343 N ALA A 25 1.466 3.658 13.606 1.00 0.00 N ATOM 344 CA ALA A 25 0.258 3.967 12.850 1.00 0.00 C ATOM 345 C ALA A 25 -0.025 2.895 11.803 1.00 0.00 C ATOM 346 O ALA A 25 0.754 2.701 10.870 1.00 0.00 O ATOM 347 CB ALA A 25 0.374 5.339 12.203 1.00 0.00 C ATOM 0 H ALA A 25 2.147 4.417 13.647 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.583 3.982 13.544 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.535 5.555 11.642 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.512 6.095 12.976 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.229 5.351 11.527 1.00 0.00 H new ATOM 353 N GLU A 26 -1.142 2.196 11.974 1.00 0.00 N ATOM 354 CA GLU A 26 -1.533 1.133 11.057 1.00 0.00 C ATOM 355 C GLU A 26 -2.767 1.530 10.248 1.00 0.00 C ATOM 356 O GLU A 26 -3.455 2.496 10.575 1.00 0.00 O ATOM 357 CB GLU A 26 -1.823 -0.151 11.837 1.00 0.00 C ATOM 358 CG GLU A 26 -2.729 0.059 13.039 1.00 0.00 C ATOM 359 CD GLU A 26 -3.149 -1.245 13.688 1.00 0.00 C ATOM 360 OE1 GLU A 26 -2.451 -2.261 13.485 1.00 0.00 O ATOM 361 OE2 GLU A 26 -4.176 -1.251 14.399 1.00 0.00 O ATOM 0 H GLU A 26 -1.795 2.348 12.743 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.707 0.963 10.366 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.284 -0.877 11.167 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.880 -0.582 12.174 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.213 0.677 13.774 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.618 0.608 12.728 1.00 0.00 H new ATOM 368 N LEU A 27 -3.044 0.763 9.201 1.00 0.00 N ATOM 369 CA LEU A 27 -4.196 0.998 8.345 1.00 0.00 C ATOM 370 C LEU A 27 -5.140 -0.197 8.439 1.00 0.00 C ATOM 371 O LEU A 27 -4.812 -1.292 7.982 1.00 0.00 O ATOM 372 CB LEU A 27 -3.744 1.210 6.897 1.00 0.00 C ATOM 373 CG LEU A 27 -4.872 1.395 5.879 1.00 0.00 C ATOM 374 CD1 LEU A 27 -4.632 2.637 5.035 1.00 0.00 C ATOM 375 CD2 LEU A 27 -5.000 0.165 4.990 1.00 0.00 C ATOM 0 H LEU A 27 -2.476 -0.038 8.923 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.718 1.897 8.674 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.097 2.086 6.861 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.140 0.355 6.594 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.807 1.524 6.425 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.444 2.752 4.317 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.592 3.514 5.681 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.687 2.537 4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.807 0.316 4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.064 0.004 4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.220 -0.707 5.605 1.00 0.00 H new ATOM 387 N THR A 28 -6.296 0.004 9.064 1.00 0.00 N ATOM 388 CA THR A 28 -7.257 -1.079 9.247 1.00 0.00 C ATOM 389 C THR A 28 -8.425 -0.997 8.271 1.00 0.00 C ATOM 390 O THR A 28 -9.156 -0.007 8.237 1.00 0.00 O ATOM 391 CB THR A 28 -7.787 -1.067 10.682 1.00 0.00 C ATOM 392 OG1 THR A 28 -6.720 -1.008 11.612 1.00 0.00 O ATOM 393 CG2 THR A 28 -8.625 -2.280 11.020 1.00 0.00 C ATOM 0 H THR A 28 -6.589 0.901 9.450 1.00 0.00 H new ATOM 0 HA THR A 28 -6.730 -2.012 9.047 1.00 0.00 H new ATOM 0 HB THR A 28 -8.417 -0.180 10.749 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.080 -0.999 12.523 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.969 -2.208 12.052 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.486 -2.325 10.353 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.025 -3.182 10.899 1.00 0.00 H new ATOM 401 N TRP A 29 -8.607 -2.064 7.495 1.00 0.00 N ATOM 402 CA TRP A 29 -9.692 -2.141 6.537 1.00 0.00 C ATOM 403 C TRP A 29 -10.889 -2.867 7.144 1.00 0.00 C ATOM 404 O TRP A 29 -10.845 -4.076 7.368 1.00 0.00 O ATOM 405 CB TRP A 29 -9.241 -2.879 5.277 1.00 0.00 C ATOM 406 CG TRP A 29 -10.348 -3.059 4.287 1.00 0.00 C ATOM 407 CD1 TRP A 29 -10.921 -2.085 3.534 1.00 0.00 C ATOM 408 CD2 TRP A 29 -11.028 -4.276 3.962 1.00 0.00 C ATOM 409 NE1 TRP A 29 -11.910 -2.617 2.741 1.00 0.00 N ATOM 410 CE2 TRP A 29 -11.996 -3.964 2.988 1.00 0.00 C ATOM 411 CE3 TRP A 29 -10.908 -5.599 4.394 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -12.840 -4.928 2.443 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -11.747 -6.554 3.853 1.00 0.00 C ATOM 414 CH2 TRP A 29 -12.702 -6.214 2.886 1.00 0.00 C ATOM 0 H TRP A 29 -8.008 -2.890 7.517 1.00 0.00 H new ATOM 0 HA TRP A 29 -9.983 -1.124 6.274 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.427 -2.326 4.809 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -8.845 -3.856 5.555 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -10.640 -1.042 3.555 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -12.485 -2.096 2.078 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.173 -5.870 5.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -13.577 -4.669 1.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -11.665 -7.580 4.181 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -13.343 -6.984 2.482 1.00 0.00 H new ATOM 425 N ARG A 30 -11.957 -2.126 7.395 1.00 0.00 N ATOM 426 CA ARG A 30 -13.168 -2.702 7.961 1.00 0.00 C ATOM 427 C ARG A 30 -14.278 -2.721 6.917 1.00 0.00 C ATOM 428 O ARG A 30 -14.760 -1.671 6.495 1.00 0.00 O ATOM 429 CB ARG A 30 -13.616 -1.907 9.189 1.00 0.00 C ATOM 430 CG ARG A 30 -12.712 -2.096 10.397 1.00 0.00 C ATOM 431 CD ARG A 30 -13.160 -1.234 11.568 1.00 0.00 C ATOM 432 NE ARG A 30 -12.381 -1.503 12.774 1.00 0.00 N ATOM 433 CZ ARG A 30 -12.570 -0.877 13.933 1.00 0.00 C ATOM 434 NH1 ARG A 30 -13.509 0.054 14.047 1.00 0.00 N ATOM 435 NH2 ARG A 30 -11.818 -1.183 14.982 1.00 0.00 N ATOM 0 H ARG A 30 -12.010 -1.123 7.216 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.954 -3.725 8.269 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -13.651 -0.848 8.933 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.631 -2.204 9.454 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.714 -3.145 10.694 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.686 -1.843 10.129 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.064 -0.182 11.301 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -14.216 -1.416 11.770 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.649 -2.212 12.725 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -14.090 0.293 13.244 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.649 0.530 14.938 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.095 -1.898 14.900 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.963 -0.703 15.870 1.00 0.00 H new ATOM 449 N SER A 31 -14.674 -3.919 6.495 1.00 0.00 N ATOM 450 CA SER A 31 -15.721 -4.068 5.487 1.00 0.00 C ATOM 451 C SER A 31 -16.922 -3.184 5.806 1.00 0.00 C ATOM 452 O SER A 31 -17.062 -2.688 6.924 1.00 0.00 O ATOM 453 CB SER A 31 -16.161 -5.529 5.385 1.00 0.00 C ATOM 454 OG SER A 31 -15.050 -6.382 5.172 1.00 0.00 O ATOM 0 H SER A 31 -14.287 -4.799 6.834 1.00 0.00 H new ATOM 0 HA SER A 31 -15.308 -3.753 4.529 1.00 0.00 H new ATOM 0 HB2 SER A 31 -16.678 -5.821 6.299 1.00 0.00 H new ATOM 0 HB3 SER A 31 -16.872 -5.642 4.567 1.00 0.00 H new ATOM 0 HG SER A 31 -14.402 -6.263 5.898 1.00 0.00 H new ATOM 460 N THR A 32 -17.789 -2.999 4.819 1.00 0.00 N ATOM 461 CA THR A 32 -18.978 -2.186 4.993 1.00 0.00 C ATOM 462 C THR A 32 -19.958 -2.910 5.892 1.00 0.00 C ATOM 463 O THR A 32 -20.608 -2.312 6.750 1.00 0.00 O ATOM 464 CB THR A 32 -19.627 -1.898 3.642 1.00 0.00 C ATOM 465 OG1 THR A 32 -18.856 -2.439 2.583 1.00 0.00 O ATOM 466 CG2 THR A 32 -19.808 -0.420 3.368 1.00 0.00 C ATOM 0 H THR A 32 -17.688 -3.404 3.888 1.00 0.00 H new ATOM 0 HA THR A 32 -18.696 -1.238 5.452 1.00 0.00 H new ATOM 0 HB THR A 32 -20.610 -2.367 3.692 1.00 0.00 H new ATOM 0 HG1 THR A 32 -19.292 -2.243 1.728 1.00 0.00 H new ATOM 0 HG21 THR A 32 -20.274 -0.285 2.392 1.00 0.00 H new ATOM 0 HG22 THR A 32 -20.444 0.017 4.138 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.836 0.073 3.377 1.00 0.00 H new ATOM 474 N ASP A 33 -20.048 -4.210 5.679 1.00 0.00 N ATOM 475 CA ASP A 33 -20.937 -5.054 6.455 1.00 0.00 C ATOM 476 C ASP A 33 -20.290 -5.467 7.769 1.00 0.00 C ATOM 477 O ASP A 33 -20.925 -5.450 8.823 1.00 0.00 O ATOM 478 CB ASP A 33 -21.336 -6.293 5.652 1.00 0.00 C ATOM 479 CG ASP A 33 -22.564 -6.057 4.794 1.00 0.00 C ATOM 480 OD1 ASP A 33 -22.509 -5.179 3.908 1.00 0.00 O ATOM 481 OD2 ASP A 33 -23.581 -6.749 5.011 1.00 0.00 O ATOM 0 H ASP A 33 -19.511 -4.707 4.969 1.00 0.00 H new ATOM 0 HA ASP A 33 -21.834 -4.477 6.682 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -20.504 -6.593 5.015 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -21.528 -7.119 6.336 1.00 0.00 H new ATOM 486 N GLY A 34 -19.022 -5.838 7.694 1.00 0.00 N ATOM 487 CA GLY A 34 -18.296 -6.255 8.879 1.00 0.00 C ATOM 488 C GLY A 34 -17.975 -7.735 8.866 1.00 0.00 C ATOM 489 O GLY A 34 -17.729 -8.333 9.914 1.00 0.00 O ATOM 0 H GLY A 34 -18.479 -5.858 6.831 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.370 -5.685 8.954 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.886 -6.021 9.765 1.00 0.00 H new ATOM 493 N ASP A 35 -17.977 -8.329 7.677 1.00 0.00 N ATOM 494 CA ASP A 35 -17.683 -9.748 7.531 1.00 0.00 C ATOM 495 C ASP A 35 -16.194 -9.980 7.289 1.00 0.00 C ATOM 496 O ASP A 35 -15.697 -11.092 7.465 1.00 0.00 O ATOM 497 CB ASP A 35 -18.498 -10.343 6.382 1.00 0.00 C ATOM 498 CG ASP A 35 -19.980 -10.050 6.511 1.00 0.00 C ATOM 499 OD1 ASP A 35 -20.604 -10.560 7.466 1.00 0.00 O ATOM 500 OD2 ASP A 35 -20.516 -9.312 5.659 1.00 0.00 O ATOM 0 H ASP A 35 -18.179 -7.848 6.800 1.00 0.00 H new ATOM 0 HA ASP A 35 -17.959 -10.245 8.461 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -18.133 -9.943 5.436 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -18.345 -11.422 6.352 1.00 0.00 H new ATOM 505 N LYS A 36 -15.487 -8.929 6.883 1.00 0.00 N ATOM 506 CA LYS A 36 -14.054 -9.039 6.620 1.00 0.00 C ATOM 507 C LYS A 36 -13.293 -7.856 7.206 1.00 0.00 C ATOM 508 O LYS A 36 -13.807 -6.739 7.267 1.00 0.00 O ATOM 509 CB LYS A 36 -13.791 -9.137 5.114 1.00 0.00 C ATOM 510 CG LYS A 36 -14.787 -10.017 4.377 1.00 0.00 C ATOM 511 CD LYS A 36 -15.920 -9.197 3.782 1.00 0.00 C ATOM 512 CE LYS A 36 -16.920 -10.078 3.050 1.00 0.00 C ATOM 513 NZ LYS A 36 -16.266 -10.907 2.001 1.00 0.00 N ATOM 0 H LYS A 36 -15.878 -7.999 6.730 1.00 0.00 H new ATOM 0 HA LYS A 36 -13.696 -9.948 7.103 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -13.816 -8.136 4.684 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.786 -9.528 4.954 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -14.275 -10.562 3.584 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -15.195 -10.760 5.062 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -16.429 -8.648 4.575 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -15.512 -8.457 3.093 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -17.423 -10.729 3.766 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -17.688 -9.453 2.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -16.990 -11.295 1.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.604 -10.318 1.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -15.746 -11.688 2.450 1.00 0.00 H new ATOM 527 N VAL A 37 -12.064 -8.115 7.640 1.00 0.00 N ATOM 528 CA VAL A 37 -11.227 -7.078 8.227 1.00 0.00 C ATOM 529 C VAL A 37 -9.760 -7.271 7.842 1.00 0.00 C ATOM 530 O VAL A 37 -9.318 -8.390 7.582 1.00 0.00 O ATOM 531 CB VAL A 37 -11.379 -7.052 9.768 1.00 0.00 C ATOM 532 CG1 VAL A 37 -10.189 -7.699 10.467 1.00 0.00 C ATOM 533 CG2 VAL A 37 -11.582 -5.627 10.254 1.00 0.00 C ATOM 0 H VAL A 37 -11.626 -9.035 7.596 1.00 0.00 H new ATOM 0 HA VAL A 37 -11.561 -6.119 7.830 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.261 -7.640 10.024 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.336 -7.660 11.546 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.102 -8.738 10.150 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.277 -7.162 10.205 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.687 -5.624 11.339 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.722 -5.020 9.971 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.483 -5.213 9.801 1.00 0.00 H new ATOM 543 N HIS A 38 -9.011 -6.174 7.811 1.00 0.00 N ATOM 544 CA HIS A 38 -7.594 -6.220 7.463 1.00 0.00 C ATOM 545 C HIS A 38 -6.819 -5.137 8.208 1.00 0.00 C ATOM 546 O HIS A 38 -7.346 -4.058 8.472 1.00 0.00 O ATOM 547 CB HIS A 38 -7.409 -6.049 5.954 1.00 0.00 C ATOM 548 CG HIS A 38 -6.243 -6.811 5.405 1.00 0.00 C ATOM 549 ND1 HIS A 38 -6.256 -8.177 5.220 1.00 0.00 N ATOM 550 CD2 HIS A 38 -5.022 -6.390 4.997 1.00 0.00 C ATOM 551 CE1 HIS A 38 -5.094 -8.564 4.723 1.00 0.00 C ATOM 552 NE2 HIS A 38 -4.327 -7.498 4.579 1.00 0.00 N ATOM 0 H HIS A 38 -9.362 -5.240 8.023 1.00 0.00 H new ATOM 0 HA HIS A 38 -7.204 -7.194 7.759 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -8.317 -6.374 5.446 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -7.279 -4.990 5.730 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.662 -5.372 5.000 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -4.818 -9.579 4.477 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -3.374 -7.498 4.216 1.00 0.00 H new ATOM 561 N THR A 39 -5.569 -5.432 8.550 1.00 0.00 N ATOM 562 CA THR A 39 -4.733 -4.477 9.269 1.00 0.00 C ATOM 563 C THR A 39 -3.370 -4.322 8.601 1.00 0.00 C ATOM 564 O THR A 39 -2.709 -5.308 8.276 1.00 0.00 O ATOM 565 CB THR A 39 -4.554 -4.921 10.722 1.00 0.00 C ATOM 566 OG1 THR A 39 -5.630 -5.744 11.132 1.00 0.00 O ATOM 567 CG2 THR A 39 -4.464 -3.764 11.695 1.00 0.00 C ATOM 0 H THR A 39 -5.114 -6.321 8.342 1.00 0.00 H new ATOM 0 HA THR A 39 -5.235 -3.510 9.247 1.00 0.00 H new ATOM 0 HB THR A 39 -3.610 -5.466 10.742 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.496 -6.018 12.063 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.338 -4.149 12.707 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.611 -3.137 11.436 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.378 -3.173 11.643 1.00 0.00 H new ATOM 575 N VAL A 40 -2.953 -3.073 8.407 1.00 0.00 N ATOM 576 CA VAL A 40 -1.665 -2.782 7.787 1.00 0.00 C ATOM 577 C VAL A 40 -0.850 -1.848 8.651 1.00 0.00 C ATOM 578 O VAL A 40 -1.340 -0.825 9.112 1.00 0.00 O ATOM 579 CB VAL A 40 -1.835 -2.144 6.395 1.00 0.00 C ATOM 580 CG1 VAL A 40 -0.641 -1.268 6.023 1.00 0.00 C ATOM 581 CG2 VAL A 40 -2.039 -3.226 5.362 1.00 0.00 C ATOM 0 H VAL A 40 -3.489 -2.247 8.671 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.146 -3.734 7.680 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.713 -1.498 6.423 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.800 -0.837 5.035 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.535 -0.468 6.755 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.265 -1.873 6.013 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.159 -2.772 4.378 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.173 -3.888 5.353 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.932 -3.800 5.608 1.00 0.00 H new ATOM 591 N VAL A 41 0.402 -2.188 8.854 1.00 0.00 N ATOM 592 CA VAL A 41 1.268 -1.341 9.652 1.00 0.00 C ATOM 593 C VAL A 41 2.177 -0.500 8.764 1.00 0.00 C ATOM 594 O VAL A 41 3.152 -0.997 8.200 1.00 0.00 O ATOM 595 CB VAL A 41 2.089 -2.146 10.675 1.00 0.00 C ATOM 596 CG1 VAL A 41 3.076 -1.248 11.413 1.00 0.00 C ATOM 597 CG2 VAL A 41 1.148 -2.822 11.657 1.00 0.00 C ATOM 0 H VAL A 41 0.842 -3.031 8.485 1.00 0.00 H new ATOM 0 HA VAL A 41 0.623 -0.669 10.219 1.00 0.00 H new ATOM 0 HB VAL A 41 2.665 -2.905 10.145 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.643 -1.842 12.130 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.760 -0.793 10.697 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.531 -0.465 11.941 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.728 -3.393 12.382 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.560 -2.066 12.177 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.480 -3.493 11.117 1.00 0.00 H new ATOM 607 N LEU A 42 1.840 0.780 8.644 1.00 0.00 N ATOM 608 CA LEU A 42 2.606 1.710 7.822 1.00 0.00 C ATOM 609 C LEU A 42 4.096 1.658 8.162 1.00 0.00 C ATOM 610 O LEU A 42 4.941 1.994 7.331 1.00 0.00 O ATOM 611 CB LEU A 42 2.070 3.133 8.005 1.00 0.00 C ATOM 612 CG LEU A 42 0.757 3.434 7.273 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.872 3.070 5.801 1.00 0.00 C ATOM 614 CD2 LEU A 42 -0.404 2.687 7.919 1.00 0.00 C ATOM 0 H LEU A 42 1.035 1.199 9.110 1.00 0.00 H new ATOM 0 HA LEU A 42 2.492 1.413 6.779 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.924 3.315 9.070 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.828 3.837 7.662 1.00 0.00 H new ATOM 0 HG LEU A 42 0.560 4.503 7.350 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.069 3.290 5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.673 3.651 5.344 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.095 2.007 5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.326 2.915 7.384 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.215 1.614 7.876 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.502 2.997 8.959 1.00 0.00 H new ATOM 626 N SER A 43 4.414 1.236 9.383 1.00 0.00 N ATOM 627 CA SER A 43 5.804 1.141 9.820 1.00 0.00 C ATOM 628 C SER A 43 6.562 0.098 9.008 1.00 0.00 C ATOM 629 O SER A 43 7.769 0.216 8.796 1.00 0.00 O ATOM 630 CB SER A 43 5.875 0.799 11.310 1.00 0.00 C ATOM 631 OG SER A 43 4.982 1.603 12.061 1.00 0.00 O ATOM 0 H SER A 43 3.730 0.955 10.086 1.00 0.00 H new ATOM 0 HA SER A 43 6.274 2.111 9.657 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.633 -0.254 11.457 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.893 0.945 11.672 1.00 0.00 H new ATOM 0 HG SER A 43 4.976 2.513 11.697 1.00 0.00 H new ATOM 637 N THR A 44 5.843 -0.917 8.551 1.00 0.00 N ATOM 638 CA THR A 44 6.440 -1.983 7.752 1.00 0.00 C ATOM 639 C THR A 44 6.265 -1.697 6.272 1.00 0.00 C ATOM 640 O THR A 44 7.107 -2.055 5.449 1.00 0.00 O ATOM 641 CB THR A 44 5.811 -3.338 8.093 1.00 0.00 C ATOM 642 OG1 THR A 44 4.668 -3.579 7.290 1.00 0.00 O ATOM 643 CG2 THR A 44 5.381 -3.454 9.538 1.00 0.00 C ATOM 0 H THR A 44 4.843 -1.027 8.719 1.00 0.00 H new ATOM 0 HA THR A 44 7.504 -2.022 7.986 1.00 0.00 H new ATOM 0 HB THR A 44 6.594 -4.072 7.901 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.025 -2.849 7.408 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.944 -4.438 9.710 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.247 -3.323 10.187 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.641 -2.685 9.760 1.00 0.00 H new ATOM 651 N ILE A 45 5.158 -1.050 5.944 1.00 0.00 N ATOM 652 CA ILE A 45 4.844 -0.706 4.563 1.00 0.00 C ATOM 653 C ILE A 45 6.050 -0.090 3.858 1.00 0.00 C ATOM 654 O ILE A 45 6.436 1.044 4.137 1.00 0.00 O ATOM 655 CB ILE A 45 3.648 0.269 4.485 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.393 -0.384 5.070 1.00 0.00 C ATOM 657 CG2 ILE A 45 3.397 0.704 3.047 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.115 -1.767 4.519 1.00 0.00 C ATOM 0 H ILE A 45 4.456 -0.750 6.620 1.00 0.00 H new ATOM 0 HA ILE A 45 4.575 -1.634 4.057 1.00 0.00 H new ATOM 0 HB ILE A 45 3.890 1.155 5.072 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.498 -0.448 6.153 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.534 0.257 4.871 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.550 1.390 3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.284 1.205 2.658 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.177 -0.171 2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.211 -2.167 4.979 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.977 -1.708 3.439 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.956 -2.423 4.742 1.00 0.00 H new ATOM 670 N ASP A 46 6.639 -0.852 2.942 1.00 0.00 N ATOM 671 CA ASP A 46 7.799 -0.390 2.194 1.00 0.00 C ATOM 672 C ASP A 46 7.472 0.872 1.404 1.00 0.00 C ATOM 673 O ASP A 46 8.199 1.863 1.474 1.00 0.00 O ATOM 674 CB ASP A 46 8.288 -1.486 1.245 1.00 0.00 C ATOM 675 CG ASP A 46 9.798 -1.503 1.111 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.482 -1.007 2.032 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.297 -2.011 0.085 1.00 0.00 O ATOM 0 H ASP A 46 6.330 -1.794 2.701 1.00 0.00 H new ATOM 0 HA ASP A 46 8.589 -0.155 2.907 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.947 -2.456 1.608 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.840 -1.338 0.262 1.00 0.00 H new ATOM 682 N LYS A 47 6.376 0.833 0.650 1.00 0.00 N ATOM 683 CA LYS A 47 5.964 1.980 -0.154 1.00 0.00 C ATOM 684 C LYS A 47 4.463 1.953 -0.420 1.00 0.00 C ATOM 685 O LYS A 47 3.796 0.943 -0.193 1.00 0.00 O ATOM 686 CB LYS A 47 6.719 2.009 -1.489 1.00 0.00 C ATOM 687 CG LYS A 47 8.100 1.372 -1.438 1.00 0.00 C ATOM 688 CD LYS A 47 8.803 1.462 -2.783 1.00 0.00 C ATOM 689 CE LYS A 47 9.605 0.204 -3.077 1.00 0.00 C ATOM 690 NZ LYS A 47 9.575 -0.148 -4.524 1.00 0.00 N ATOM 0 H LYS A 47 5.760 0.023 0.579 1.00 0.00 H new ATOM 0 HA LYS A 47 6.205 2.879 0.413 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.122 1.496 -2.243 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.820 3.044 -1.814 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.703 1.867 -0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.009 0.327 -1.142 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.066 1.617 -3.571 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.465 2.328 -2.791 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.638 0.349 -2.760 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.206 -0.626 -2.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.133 -1.011 -4.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.592 -0.312 -4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.979 0.633 -5.080 1.00 0.00 H new ATOM 704 N LEU A 48 3.943 3.070 -0.913 1.00 0.00 N ATOM 705 CA LEU A 48 2.525 3.189 -1.229 1.00 0.00 C ATOM 706 C LEU A 48 2.327 3.228 -2.742 1.00 0.00 C ATOM 707 O LEU A 48 3.271 3.486 -3.489 1.00 0.00 O ATOM 708 CB LEU A 48 1.949 4.458 -0.595 1.00 0.00 C ATOM 709 CG LEU A 48 0.636 4.267 0.163 1.00 0.00 C ATOM 710 CD1 LEU A 48 0.910 3.933 1.620 1.00 0.00 C ATOM 711 CD2 LEU A 48 -0.230 5.514 0.052 1.00 0.00 C ATOM 0 H LEU A 48 4.486 3.912 -1.104 1.00 0.00 H new ATOM 0 HA LEU A 48 2.002 2.323 -0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.689 4.871 0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.793 5.198 -1.379 1.00 0.00 H new ATOM 0 HG LEU A 48 0.095 3.434 -0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.035 3.800 2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.491 3.013 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.471 4.746 2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.161 5.360 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.302 6.366 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.452 5.710 -0.997 1.00 0.00 H new ATOM 723 N GLN A 49 1.104 2.975 -3.195 1.00 0.00 N ATOM 724 CA GLN A 49 0.813 2.989 -4.624 1.00 0.00 C ATOM 725 C GLN A 49 -0.574 3.559 -4.902 1.00 0.00 C ATOM 726 O GLN A 49 -1.521 3.309 -4.158 1.00 0.00 O ATOM 727 CB GLN A 49 0.923 1.579 -5.202 1.00 0.00 C ATOM 728 CG GLN A 49 2.355 1.079 -5.315 1.00 0.00 C ATOM 729 CD GLN A 49 2.629 -0.117 -4.424 1.00 0.00 C ATOM 730 OE1 GLN A 49 3.320 -1.056 -4.821 1.00 0.00 O ATOM 731 NE2 GLN A 49 2.087 -0.088 -3.212 1.00 0.00 N ATOM 0 H GLN A 49 0.304 2.760 -2.599 1.00 0.00 H new ATOM 0 HA GLN A 49 1.548 3.633 -5.107 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.355 0.892 -4.574 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.462 1.563 -6.190 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.561 0.810 -6.351 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.039 1.886 -5.053 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.521 0.711 -2.925 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.236 -0.865 -2.568 1.00 0.00 H new ATOM 740 N ALA A 50 -0.682 4.323 -5.984 1.00 0.00 N ATOM 741 CA ALA A 50 -1.949 4.928 -6.373 1.00 0.00 C ATOM 742 C ALA A 50 -2.025 5.115 -7.882 1.00 0.00 C ATOM 743 O ALA A 50 -1.099 5.636 -8.501 1.00 0.00 O ATOM 744 CB ALA A 50 -2.140 6.260 -5.664 1.00 0.00 C ATOM 0 H ALA A 50 0.096 4.538 -6.608 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.752 4.254 -6.075 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.091 6.699 -5.965 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.139 6.102 -4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.327 6.935 -5.933 1.00 0.00 H new ATOM 847 N MET A 58 -9.493 4.100 -10.147 1.00 0.00 N ATOM 848 CA MET A 58 -8.947 4.466 -8.846 1.00 0.00 C ATOM 849 C MET A 58 -8.569 3.221 -8.048 1.00 0.00 C ATOM 850 O MET A 58 -9.435 2.453 -7.632 1.00 0.00 O ATOM 851 CB MET A 58 -9.964 5.298 -8.063 1.00 0.00 C ATOM 852 CG MET A 58 -10.103 6.723 -8.570 1.00 0.00 C ATOM 853 SD MET A 58 -10.809 6.809 -10.227 1.00 0.00 S ATOM 854 CE MET A 58 -9.472 7.598 -11.119 1.00 0.00 C ATOM 0 HA MET A 58 -8.047 5.060 -9.008 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.936 4.808 -8.111 1.00 0.00 H new ATOM 0 HB3 MET A 58 -9.671 5.322 -7.013 1.00 0.00 H new ATOM 0 HG2 MET A 58 -10.732 7.289 -7.882 1.00 0.00 H new ATOM 0 HG3 MET A 58 -9.123 7.200 -8.572 1.00 0.00 H new ATOM 0 HE1 MET A 58 -9.755 7.722 -12.164 1.00 0.00 H new ATOM 0 HE2 MET A 58 -9.268 8.574 -10.680 1.00 0.00 H new ATOM 0 HE3 MET A 58 -8.578 6.978 -11.057 1.00 0.00 H new ATOM 864 N MET A 59 -7.270 3.028 -7.838 1.00 0.00 N ATOM 865 CA MET A 59 -6.782 1.875 -7.090 1.00 0.00 C ATOM 866 C MET A 59 -5.441 2.178 -6.429 1.00 0.00 C ATOM 867 O MET A 59 -4.575 2.819 -7.024 1.00 0.00 O ATOM 868 CB MET A 59 -6.640 0.663 -8.013 1.00 0.00 C ATOM 869 CG MET A 59 -7.820 0.471 -8.953 1.00 0.00 C ATOM 870 SD MET A 59 -7.623 -0.964 -10.028 1.00 0.00 S ATOM 871 CE MET A 59 -5.929 -0.751 -10.571 1.00 0.00 C ATOM 0 H MET A 59 -6.538 3.654 -8.175 1.00 0.00 H new ATOM 0 HA MET A 59 -7.510 1.650 -6.310 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.730 0.771 -8.603 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.521 -0.234 -7.405 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.732 0.359 -8.367 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.942 1.365 -9.565 1.00 0.00 H new ATOM 0 HE1 MET A 59 -5.770 -1.308 -11.494 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.734 0.307 -10.747 1.00 0.00 H new ATOM 0 HE3 MET A 59 -5.251 -1.122 -9.802 1.00 0.00 H new ATOM 881 N LEU A 60 -5.276 1.709 -5.197 1.00 0.00 N ATOM 882 CA LEU A 60 -4.038 1.927 -4.455 1.00 0.00 C ATOM 883 C LEU A 60 -3.470 0.607 -3.941 1.00 0.00 C ATOM 884 O LEU A 60 -4.211 -0.259 -3.479 1.00 0.00 O ATOM 885 CB LEU A 60 -4.281 2.878 -3.281 1.00 0.00 C ATOM 886 CG LEU A 60 -4.329 4.363 -3.645 1.00 0.00 C ATOM 887 CD1 LEU A 60 -5.592 4.680 -4.433 1.00 0.00 C ATOM 888 CD2 LEU A 60 -4.250 5.219 -2.390 1.00 0.00 C ATOM 0 H LEU A 60 -5.983 1.176 -4.691 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.314 2.375 -5.135 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.222 2.607 -2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.494 2.727 -2.543 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.469 4.593 -4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.608 5.741 -4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.606 4.091 -5.350 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.467 4.435 -3.831 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.285 6.273 -2.666 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.091 4.986 -1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.317 5.012 -1.867 1.00 0.00 H new ATOM 900 N ARG A 61 -2.150 0.465 -4.018 1.00 0.00 N ATOM 901 CA ARG A 61 -1.484 -0.748 -3.553 1.00 0.00 C ATOM 902 C ARG A 61 -0.593 -0.441 -2.354 1.00 0.00 C ATOM 903 O ARG A 61 -0.137 0.690 -2.183 1.00 0.00 O ATOM 904 CB ARG A 61 -0.657 -1.386 -4.675 1.00 0.00 C ATOM 905 CG ARG A 61 -1.191 -1.105 -6.072 1.00 0.00 C ATOM 906 CD ARG A 61 -0.997 -2.298 -6.995 1.00 0.00 C ATOM 907 NE ARG A 61 0.061 -2.066 -7.976 1.00 0.00 N ATOM 908 CZ ARG A 61 1.358 -2.210 -7.718 1.00 0.00 C ATOM 909 NH1 ARG A 61 1.765 -2.586 -6.512 1.00 0.00 N ATOM 910 NH2 ARG A 61 2.252 -1.978 -8.669 1.00 0.00 N ATOM 0 H ARG A 61 -1.521 1.173 -4.397 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.253 -1.458 -3.249 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.368 -1.022 -4.609 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.623 -2.464 -4.520 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.251 -0.857 -6.014 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.683 -0.235 -6.489 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.754 -3.179 -6.402 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.932 -2.511 -7.514 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.211 -1.776 -8.915 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.082 -2.766 -5.776 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.761 -2.695 -6.321 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.945 -1.689 -9.598 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.247 -2.088 -8.472 1.00 0.00 H new ATOM 924 N LEU A 62 -0.363 -1.446 -1.515 1.00 0.00 N ATOM 925 CA LEU A 62 0.460 -1.271 -0.323 1.00 0.00 C ATOM 926 C LEU A 62 1.564 -2.324 -0.241 1.00 0.00 C ATOM 927 O LEU A 62 1.287 -3.516 -0.098 1.00 0.00 O ATOM 928 CB LEU A 62 -0.422 -1.347 0.925 1.00 0.00 C ATOM 929 CG LEU A 62 -0.121 -0.330 2.039 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.697 0.849 1.538 1.00 0.00 C ATOM 931 CD2 LEU A 62 -1.417 0.163 2.650 1.00 0.00 C ATOM 0 H LEU A 62 -0.734 -2.388 -1.638 1.00 0.00 H new ATOM 0 HA LEU A 62 0.936 -0.292 -0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.460 -1.220 0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.334 -2.349 1.345 1.00 0.00 H new ATOM 0 HG LEU A 62 0.475 -0.841 2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.883 1.539 2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.647 0.491 1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.148 1.364 0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.197 0.883 3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.023 0.641 1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.965 -0.680 3.071 1.00 0.00 H new ATOM 943 N ILE A 63 2.814 -1.876 -0.315 1.00 0.00 N ATOM 944 CA ILE A 63 3.955 -2.781 -0.228 1.00 0.00 C ATOM 945 C ILE A 63 4.422 -2.910 1.217 1.00 0.00 C ATOM 946 O ILE A 63 4.540 -1.913 1.928 1.00 0.00 O ATOM 947 CB ILE A 63 5.135 -2.297 -1.103 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.742 -2.297 -2.581 1.00 0.00 C ATOM 949 CG2 ILE A 63 6.362 -3.173 -0.884 1.00 0.00 C ATOM 950 CD1 ILE A 63 4.163 -3.613 -3.052 1.00 0.00 C ATOM 0 H ILE A 63 3.062 -0.894 -0.435 1.00 0.00 H new ATOM 0 HA ILE A 63 3.626 -3.752 -0.597 1.00 0.00 H new ATOM 0 HB ILE A 63 5.381 -1.277 -0.808 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.013 -1.506 -2.755 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.620 -2.060 -3.182 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.180 -2.816 -1.509 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.659 -3.128 0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.126 -4.203 -1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.907 -3.540 -4.109 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.898 -4.405 -2.910 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.266 -3.843 -2.476 1.00 0.00 H new ATOM 962 N GLY A 64 4.684 -4.139 1.647 1.00 0.00 N ATOM 963 CA GLY A 64 5.133 -4.369 3.010 1.00 0.00 C ATOM 964 C GLY A 64 6.630 -4.586 3.098 1.00 0.00 C ATOM 965 O GLY A 64 7.303 -4.730 2.077 1.00 0.00 O ATOM 0 H GLY A 64 4.594 -4.980 1.078 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.856 -3.516 3.629 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.618 -5.239 3.417 1.00 0.00 H new ATOM 969 N LYS A 65 7.156 -4.612 4.319 1.00 0.00 N ATOM 970 CA LYS A 65 8.585 -4.818 4.526 1.00 0.00 C ATOM 971 C LYS A 65 8.972 -6.262 4.226 1.00 0.00 C ATOM 972 O LYS A 65 8.234 -7.193 4.548 1.00 0.00 O ATOM 973 CB LYS A 65 8.972 -4.459 5.963 1.00 0.00 C ATOM 974 CG LYS A 65 10.270 -3.673 6.066 1.00 0.00 C ATOM 975 CD LYS A 65 10.234 -2.416 5.208 1.00 0.00 C ATOM 976 CE LYS A 65 10.634 -1.185 6.005 1.00 0.00 C ATOM 977 NZ LYS A 65 9.446 -0.411 6.463 1.00 0.00 N ATOM 0 H LYS A 65 6.617 -4.494 5.177 1.00 0.00 H new ATOM 0 HA LYS A 65 9.126 -4.165 3.841 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.168 -3.876 6.412 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.065 -5.376 6.545 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.449 -3.399 7.106 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.103 -4.303 5.755 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.907 -2.535 4.358 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.231 -2.279 4.804 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.225 -1.488 6.869 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.270 -0.546 5.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.625 0.606 6.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.615 -0.687 5.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.268 -0.611 7.468 1.00 0.00 H new ATOM 1007 N ASP A 67 12.890 -8.450 3.598 1.00 0.00 N ATOM 1008 CA ASP A 67 14.079 -8.845 4.344 1.00 0.00 C ATOM 1009 C ASP A 67 15.262 -9.063 3.406 1.00 0.00 C ATOM 1010 O ASP A 67 15.141 -9.735 2.383 1.00 0.00 O ATOM 1011 CB ASP A 67 13.805 -10.121 5.142 1.00 0.00 C ATOM 1012 CG ASP A 67 13.159 -11.203 4.299 1.00 0.00 C ATOM 1013 OD1 ASP A 67 13.767 -11.609 3.286 1.00 0.00 O ATOM 1014 OD2 ASP A 67 12.046 -11.646 4.651 1.00 0.00 O ATOM 0 HA ASP A 67 14.329 -8.039 5.034 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.742 -10.496 5.554 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.156 -9.886 5.986 1.00 0.00 H new ATOM 1019 N GLU A 68 16.407 -8.490 3.764 1.00 0.00 N ATOM 1020 CA GLU A 68 17.612 -8.621 2.953 1.00 0.00 C ATOM 1021 C GLU A 68 18.544 -9.684 3.529 1.00 0.00 C ATOM 1022 O GLU A 68 19.763 -9.600 3.382 1.00 0.00 O ATOM 1023 CB GLU A 68 18.343 -7.280 2.867 1.00 0.00 C ATOM 1024 CG GLU A 68 17.435 -6.114 2.511 1.00 0.00 C ATOM 1025 CD GLU A 68 17.990 -4.781 2.972 1.00 0.00 C ATOM 1026 OE1 GLU A 68 18.173 -4.605 4.195 1.00 0.00 O ATOM 1027 OE2 GLU A 68 18.241 -3.912 2.112 1.00 0.00 O ATOM 0 H GLU A 68 16.525 -7.931 4.609 1.00 0.00 H new ATOM 0 HA GLU A 68 17.313 -8.929 1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.824 -7.076 3.823 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.134 -7.354 2.121 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.289 -6.089 1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.455 -6.271 2.962 1.00 0.00 H new ATOM 1034 N SER A 69 17.962 -10.681 4.186 1.00 0.00 N ATOM 1035 CA SER A 69 18.740 -11.760 4.785 1.00 0.00 C ATOM 1036 C SER A 69 18.527 -13.074 4.039 1.00 0.00 C ATOM 1037 O SER A 69 19.350 -13.986 4.123 1.00 0.00 O ATOM 1038 CB SER A 69 18.366 -11.930 6.259 1.00 0.00 C ATOM 1039 OG SER A 69 17.117 -12.584 6.396 1.00 0.00 O ATOM 0 H SER A 69 16.954 -10.765 4.318 1.00 0.00 H new ATOM 0 HA SER A 69 19.794 -11.493 4.712 1.00 0.00 H new ATOM 0 HB2 SER A 69 19.139 -12.505 6.770 1.00 0.00 H new ATOM 0 HB3 SER A 69 18.324 -10.954 6.742 1.00 0.00 H new ATOM 0 HG SER A 69 16.902 -12.682 7.347 1.00 0.00 H new ATOM 1045 N LYS A 70 17.420 -13.165 3.311 1.00 0.00 N ATOM 1046 CA LYS A 70 17.101 -14.368 2.551 1.00 0.00 C ATOM 1047 C LYS A 70 17.942 -14.450 1.282 1.00 0.00 C ATOM 1048 O LYS A 70 18.843 -15.282 1.175 1.00 0.00 O ATOM 1049 CB LYS A 70 15.614 -14.392 2.193 1.00 0.00 C ATOM 1050 CG LYS A 70 14.746 -15.071 3.240 1.00 0.00 C ATOM 1051 CD LYS A 70 14.591 -16.556 2.957 1.00 0.00 C ATOM 1052 CE LYS A 70 14.606 -17.373 4.238 1.00 0.00 C ATOM 1053 NZ LYS A 70 15.334 -18.660 4.069 1.00 0.00 N ATOM 0 H LYS A 70 16.728 -12.420 3.231 1.00 0.00 H new ATOM 0 HA LYS A 70 17.332 -15.232 3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.266 -13.369 2.053 1.00 0.00 H new ATOM 0 HB3 LYS A 70 15.487 -14.905 1.240 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.188 -14.932 4.227 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.764 -14.599 3.261 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.656 -16.730 2.424 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.397 -16.889 2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.075 -16.793 5.033 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.582 -17.574 4.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.321 -19.187 4.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.872 -19.226 3.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.319 -18.468 3.795 1.00 0.00 H new ATOM 1067 N LYS A 71 17.643 -13.581 0.322 1.00 0.00 N ATOM 1068 CA LYS A 71 18.372 -13.555 -0.941 1.00 0.00 C ATOM 1069 C LYS A 71 18.233 -14.884 -1.676 1.00 0.00 C ATOM 1070 O LYS A 71 19.135 -15.721 -1.643 1.00 0.00 O ATOM 1071 CB LYS A 71 19.850 -13.247 -0.693 1.00 0.00 C ATOM 1072 CG LYS A 71 20.157 -11.761 -0.616 1.00 0.00 C ATOM 1073 CD LYS A 71 20.603 -11.213 -1.961 1.00 0.00 C ATOM 1074 CE LYS A 71 21.429 -9.948 -1.802 1.00 0.00 C ATOM 1075 NZ LYS A 71 21.555 -9.201 -3.083 1.00 0.00 N ATOM 0 H LYS A 71 16.901 -12.885 0.395 1.00 0.00 H new ATOM 0 HA LYS A 71 17.944 -12.770 -1.564 1.00 0.00 H new ATOM 0 HB2 LYS A 71 20.160 -13.722 0.238 1.00 0.00 H new ATOM 0 HB3 LYS A 71 20.444 -13.691 -1.492 1.00 0.00 H new ATOM 0 HG2 LYS A 71 19.271 -11.223 -0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 71 20.937 -11.588 0.125 1.00 0.00 H new ATOM 0 HD2 LYS A 71 21.189 -11.967 -2.486 1.00 0.00 H new ATOM 0 HD3 LYS A 71 19.729 -11.003 -2.577 1.00 0.00 H new ATOM 0 HE2 LYS A 71 20.968 -9.306 -1.051 1.00 0.00 H new ATOM 0 HE3 LYS A 71 22.422 -10.207 -1.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 22.126 -8.345 -2.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 22.018 -9.804 -3.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 20.610 -8.931 -3.422 1.00 0.00 H new ATOM 1089 N ARG A 72 17.097 -15.070 -2.341 1.00 0.00 N ATOM 1090 CA ARG A 72 16.839 -16.296 -3.087 1.00 0.00 C ATOM 1091 C ARG A 72 16.951 -16.054 -4.589 1.00 0.00 C ATOM 1092 O ARG A 72 17.339 -14.969 -5.025 1.00 0.00 O ATOM 1093 CB ARG A 72 15.450 -16.840 -2.749 1.00 0.00 C ATOM 1094 CG ARG A 72 14.316 -15.918 -3.165 1.00 0.00 C ATOM 1095 CD ARG A 72 13.113 -16.702 -3.662 1.00 0.00 C ATOM 1096 NE ARG A 72 12.208 -17.066 -2.575 1.00 0.00 N ATOM 1097 CZ ARG A 72 11.225 -17.955 -2.694 1.00 0.00 C ATOM 1098 NH1 ARG A 72 11.017 -18.573 -3.850 1.00 0.00 N ATOM 1099 NH2 ARG A 72 10.448 -18.226 -1.654 1.00 0.00 N ATOM 0 H ARG A 72 16.340 -14.387 -2.378 1.00 0.00 H new ATOM 0 HA ARG A 72 17.590 -17.031 -2.799 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.319 -17.806 -3.237 1.00 0.00 H new ATOM 0 HB3 ARG A 72 15.389 -17.015 -1.675 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.022 -15.297 -2.319 1.00 0.00 H new ATOM 0 HG3 ARG A 72 14.662 -15.245 -3.950 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.573 -16.108 -4.399 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.453 -17.606 -4.168 1.00 0.00 H new ATOM 0 HE ARG A 72 12.337 -16.612 -1.671 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.612 -18.367 -4.653 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.262 -19.254 -3.936 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.604 -17.753 -0.764 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.694 -18.907 -1.744 1.00 0.00 H new ATOM 1113 N LYS A 73 16.610 -17.069 -5.375 1.00 0.00 N ATOM 1114 CA LYS A 73 16.672 -16.964 -6.828 1.00 0.00 C ATOM 1115 C LYS A 73 15.275 -16.812 -7.423 1.00 0.00 C ATOM 1116 O LYS A 73 14.278 -16.838 -6.703 1.00 0.00 O ATOM 1117 CB LYS A 73 17.360 -18.197 -7.419 1.00 0.00 C ATOM 1118 CG LYS A 73 18.862 -18.035 -7.583 1.00 0.00 C ATOM 1119 CD LYS A 73 19.627 -18.786 -6.505 1.00 0.00 C ATOM 1120 CE LYS A 73 21.122 -18.530 -6.601 1.00 0.00 C ATOM 1121 NZ LYS A 73 21.828 -19.622 -7.326 1.00 0.00 N ATOM 0 H LYS A 73 16.288 -17.973 -5.031 1.00 0.00 H new ATOM 0 HA LYS A 73 17.252 -16.076 -7.080 1.00 0.00 H new ATOM 0 HB2 LYS A 73 17.163 -19.055 -6.777 1.00 0.00 H new ATOM 0 HB3 LYS A 73 16.919 -18.418 -8.391 1.00 0.00 H new ATOM 0 HG2 LYS A 73 19.163 -18.400 -8.565 1.00 0.00 H new ATOM 0 HG3 LYS A 73 19.121 -16.977 -7.544 1.00 0.00 H new ATOM 0 HD2 LYS A 73 19.267 -18.481 -5.522 1.00 0.00 H new ATOM 0 HD3 LYS A 73 19.433 -19.855 -6.598 1.00 0.00 H new ATOM 0 HE2 LYS A 73 21.296 -17.583 -7.113 1.00 0.00 H new ATOM 0 HE3 LYS A 73 21.538 -18.432 -5.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 22.845 -19.409 -7.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 21.684 -20.522 -6.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 21.449 -19.699 -8.291 1.00 0.00 H new ATOM 1135 N ASP A 74 15.211 -16.655 -8.742 1.00 0.00 N ATOM 1136 CA ASP A 74 13.934 -16.500 -9.430 1.00 0.00 C ATOM 1137 C ASP A 74 13.448 -17.833 -9.995 1.00 0.00 C ATOM 1138 O ASP A 74 12.619 -17.868 -10.903 1.00 0.00 O ATOM 1139 CB ASP A 74 14.057 -15.470 -10.555 1.00 0.00 C ATOM 1140 CG ASP A 74 12.779 -14.681 -10.759 1.00 0.00 C ATOM 1141 OD1 ASP A 74 12.383 -13.942 -9.833 1.00 0.00 O ATOM 1142 OD2 ASP A 74 12.173 -14.803 -11.845 1.00 0.00 O ATOM 0 H ASP A 74 16.026 -16.632 -9.354 1.00 0.00 H new ATOM 0 HA ASP A 74 13.202 -16.149 -8.703 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.872 -14.783 -10.327 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.319 -15.979 -11.483 1.00 0.00 H new ATOM 1147 N ASN A 75 13.967 -18.928 -9.443 1.00 0.00 N ATOM 1148 CA ASN A 75 13.589 -20.271 -9.879 1.00 0.00 C ATOM 1149 C ASN A 75 14.229 -20.643 -11.214 1.00 0.00 C ATOM 1150 O ASN A 75 14.058 -21.764 -11.695 1.00 0.00 O ATOM 1151 CB ASN A 75 12.067 -20.393 -9.983 1.00 0.00 C ATOM 1152 CG ASN A 75 11.528 -21.594 -9.231 1.00 0.00 C ATOM 1153 OD1 ASN A 75 12.079 -21.997 -8.206 1.00 0.00 O ATOM 1154 ND2 ASN A 75 10.445 -22.173 -9.736 1.00 0.00 N ATOM 0 H ASN A 75 14.654 -18.911 -8.689 1.00 0.00 H new ATOM 0 HA ASN A 75 13.959 -20.967 -9.126 1.00 0.00 H new ATOM 0 HB2 ASN A 75 11.606 -19.486 -9.592 1.00 0.00 H new ATOM 0 HB3 ASN A 75 11.783 -20.468 -11.033 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.037 -22.985 -9.272 1.00 0.00 H new ATOM 0 HD22 ASN A 75 10.021 -21.806 -10.588 1.00 0.00 H new ATOM 1161 N GLU A 76 14.968 -19.715 -11.812 1.00 0.00 N ATOM 1162 CA GLU A 76 15.620 -19.986 -13.083 1.00 0.00 C ATOM 1163 C GLU A 76 16.948 -19.252 -13.194 1.00 0.00 C ATOM 1164 O GLU A 76 17.016 -18.141 -13.721 1.00 0.00 O ATOM 1165 CB GLU A 76 14.720 -19.603 -14.252 1.00 0.00 C ATOM 1166 CG GLU A 76 15.188 -20.195 -15.566 1.00 0.00 C ATOM 1167 CD GLU A 76 15.248 -19.172 -16.683 1.00 0.00 C ATOM 1168 OE1 GLU A 76 14.326 -18.333 -16.770 1.00 0.00 O ATOM 1169 OE2 GLU A 76 16.214 -19.210 -17.473 1.00 0.00 O ATOM 0 H GLU A 76 15.128 -18.779 -11.440 1.00 0.00 H new ATOM 0 HA GLU A 76 15.813 -21.058 -13.123 1.00 0.00 H new ATOM 0 HB2 GLU A 76 13.703 -19.939 -14.048 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.686 -18.517 -14.339 1.00 0.00 H new ATOM 0 HG2 GLU A 76 16.176 -20.635 -15.429 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.516 -21.003 -15.855 1.00 0.00 H new ATOM 1176 N GLY A 77 17.998 -19.897 -12.702 1.00 0.00 N ATOM 1177 CA GLY A 77 19.340 -19.329 -12.744 1.00 0.00 C ATOM 1178 C GLY A 77 19.366 -17.818 -12.578 1.00 0.00 C ATOM 1179 O GLY A 77 20.191 -17.137 -13.186 1.00 0.00 O ATOM 0 H GLY A 77 17.946 -20.818 -12.267 1.00 0.00 H new ATOM 0 HA2 GLY A 77 19.943 -19.783 -11.957 1.00 0.00 H new ATOM 0 HA3 GLY A 77 19.807 -19.590 -13.694 1.00 0.00 H new ATOM 1183 N ASN A 78 18.461 -17.295 -11.758 1.00 0.00 N ATOM 1184 CA ASN A 78 18.388 -15.857 -11.523 1.00 0.00 C ATOM 1185 C ASN A 78 18.401 -15.547 -10.030 1.00 0.00 C ATOM 1186 O ASN A 78 17.704 -16.191 -9.247 1.00 0.00 O ATOM 1187 CB ASN A 78 17.125 -15.279 -12.164 1.00 0.00 C ATOM 1188 CG ASN A 78 17.348 -14.863 -13.605 1.00 0.00 C ATOM 1189 OD1 ASN A 78 18.429 -14.404 -13.971 1.00 0.00 O ATOM 1190 ND2 ASN A 78 16.320 -15.024 -14.431 1.00 0.00 N ATOM 0 H ASN A 78 17.770 -17.843 -11.246 1.00 0.00 H new ATOM 0 HA ASN A 78 19.264 -15.395 -11.979 1.00 0.00 H new ATOM 0 HB2 ASN A 78 16.327 -16.021 -12.122 1.00 0.00 H new ATOM 0 HB3 ASN A 78 16.790 -14.417 -11.587 1.00 0.00 H new ATOM 0 HD21 ASN A 78 16.409 -14.763 -15.413 1.00 0.00 H new ATOM 0 HD22 ASN A 78 15.442 -15.409 -14.083 1.00 0.00 H new ATOM 1197 N GLU A 79 19.197 -14.556 -9.644 1.00 0.00 N ATOM 1198 CA GLU A 79 19.299 -14.160 -8.244 1.00 0.00 C ATOM 1199 C GLU A 79 18.511 -12.880 -7.981 1.00 0.00 C ATOM 1200 O GLU A 79 18.885 -11.803 -8.445 1.00 0.00 O ATOM 1201 CB GLU A 79 20.765 -13.958 -7.855 1.00 0.00 C ATOM 1202 CG GLU A 79 21.081 -14.384 -6.431 1.00 0.00 C ATOM 1203 CD GLU A 79 22.514 -14.854 -6.267 1.00 0.00 C ATOM 1204 OE1 GLU A 79 23.426 -14.002 -6.311 1.00 0.00 O ATOM 1205 OE2 GLU A 79 22.723 -16.074 -6.095 1.00 0.00 O ATOM 0 H GLU A 79 19.781 -14.013 -10.280 1.00 0.00 H new ATOM 0 HA GLU A 79 18.875 -14.958 -7.635 1.00 0.00 H new ATOM 0 HB2 GLU A 79 21.396 -14.522 -8.542 1.00 0.00 H new ATOM 0 HB3 GLU A 79 21.023 -12.906 -7.976 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.897 -13.548 -5.756 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.404 -15.186 -6.137 1.00 0.00 H new ATOM 1212 N VAL A 80 17.418 -13.007 -7.236 1.00 0.00 N ATOM 1213 CA VAL A 80 16.577 -11.860 -6.912 1.00 0.00 C ATOM 1214 C VAL A 80 16.302 -11.786 -5.414 1.00 0.00 C ATOM 1215 O VAL A 80 16.854 -12.562 -4.633 1.00 0.00 O ATOM 1216 CB VAL A 80 15.237 -11.915 -7.674 1.00 0.00 C ATOM 1217 CG1 VAL A 80 15.478 -11.945 -9.175 1.00 0.00 C ATOM 1218 CG2 VAL A 80 14.417 -13.120 -7.236 1.00 0.00 C ATOM 0 H VAL A 80 17.094 -13.892 -6.845 1.00 0.00 H new ATOM 0 HA VAL A 80 17.122 -10.968 -7.219 1.00 0.00 H new ATOM 0 HB VAL A 80 14.670 -11.015 -7.436 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.522 -11.984 -9.696 1.00 0.00 H new ATOM 0 HG12 VAL A 80 16.019 -11.047 -9.475 1.00 0.00 H new ATOM 0 HG13 VAL A 80 16.067 -12.826 -9.431 1.00 0.00 H new ATOM 0 HG21 VAL A 80 13.476 -13.139 -7.786 1.00 0.00 H new ATOM 0 HG22 VAL A 80 14.975 -14.034 -7.440 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.211 -13.051 -6.168 1.00 0.00 H new ATOM 1228 N VAL A 81 15.445 -10.851 -5.018 1.00 0.00 N ATOM 1229 CA VAL A 81 15.096 -10.678 -3.613 1.00 0.00 C ATOM 1230 C VAL A 81 13.632 -11.033 -3.363 1.00 0.00 C ATOM 1231 O VAL A 81 12.760 -10.693 -4.162 1.00 0.00 O ATOM 1232 CB VAL A 81 15.347 -9.231 -3.147 1.00 0.00 C ATOM 1233 CG1 VAL A 81 15.165 -9.114 -1.642 1.00 0.00 C ATOM 1234 CG2 VAL A 81 16.738 -8.771 -3.561 1.00 0.00 C ATOM 0 H VAL A 81 14.979 -10.201 -5.651 1.00 0.00 H new ATOM 0 HA VAL A 81 15.734 -11.353 -3.042 1.00 0.00 H new ATOM 0 HB VAL A 81 14.616 -8.582 -3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 81 15.347 -8.085 -1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 81 14.147 -9.399 -1.375 1.00 0.00 H new ATOM 0 HG13 VAL A 81 15.871 -9.774 -1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 81 16.898 -7.747 -3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.486 -9.423 -3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 81 16.827 -8.814 -4.647 1.00 0.00 H new ATOM 1244 N PRO A 82 13.339 -11.727 -2.247 1.00 0.00 N ATOM 1245 CA PRO A 82 11.969 -12.123 -1.903 1.00 0.00 C ATOM 1246 C PRO A 82 11.001 -10.946 -1.935 1.00 0.00 C ATOM 1247 O PRO A 82 11.266 -9.897 -1.349 1.00 0.00 O ATOM 1248 CB PRO A 82 12.102 -12.668 -0.481 1.00 0.00 C ATOM 1249 CG PRO A 82 13.519 -13.120 -0.378 1.00 0.00 C ATOM 1250 CD PRO A 82 14.315 -12.176 -1.236 1.00 0.00 C ATOM 0 HA PRO A 82 11.563 -12.844 -2.613 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.877 -11.901 0.260 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.410 -13.492 -0.307 1.00 0.00 H new ATOM 0 HG2 PRO A 82 13.864 -13.093 0.656 1.00 0.00 H new ATOM 0 HG3 PRO A 82 13.627 -14.148 -0.724 1.00 0.00 H new ATOM 0 HD2 PRO A 82 14.707 -11.340 -0.657 1.00 0.00 H new ATOM 0 HD3 PRO A 82 15.169 -12.674 -1.695 1.00 0.00 H new ATOM 1258 N LYS A 83 9.879 -11.128 -2.624 1.00 0.00 N ATOM 1259 CA LYS A 83 8.871 -10.079 -2.732 1.00 0.00 C ATOM 1260 C LYS A 83 8.074 -9.954 -1.435 1.00 0.00 C ATOM 1261 O LYS A 83 7.680 -10.958 -0.841 1.00 0.00 O ATOM 1262 CB LYS A 83 7.925 -10.370 -3.899 1.00 0.00 C ATOM 1263 CG LYS A 83 8.509 -10.016 -5.257 1.00 0.00 C ATOM 1264 CD LYS A 83 9.401 -11.127 -5.788 1.00 0.00 C ATOM 1265 CE LYS A 83 8.582 -12.280 -6.344 1.00 0.00 C ATOM 1266 NZ LYS A 83 9.258 -13.591 -6.136 1.00 0.00 N ATOM 0 H LYS A 83 9.645 -11.991 -3.115 1.00 0.00 H new ATOM 0 HA LYS A 83 9.384 -9.135 -2.915 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.664 -11.428 -3.889 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.000 -9.812 -3.754 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.701 -9.828 -5.964 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.084 -9.093 -5.177 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.051 -10.732 -6.568 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.047 -11.490 -4.989 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.604 -12.295 -5.864 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.412 -12.124 -7.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.668 -14.352 -6.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.181 -13.586 -6.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.398 -13.752 -5.118 1.00 0.00 H new ATOM 1280 N PRO A 84 7.825 -8.714 -0.974 1.00 0.00 N ATOM 1281 CA PRO A 84 7.072 -8.467 0.259 1.00 0.00 C ATOM 1282 C PRO A 84 5.573 -8.679 0.080 1.00 0.00 C ATOM 1283 O PRO A 84 5.129 -9.214 -0.936 1.00 0.00 O ATOM 1284 CB PRO A 84 7.368 -7.001 0.556 1.00 0.00 C ATOM 1285 CG PRO A 84 7.585 -6.397 -0.782 1.00 0.00 C ATOM 1286 CD PRO A 84 8.256 -7.457 -1.613 1.00 0.00 C ATOM 0 HA PRO A 84 7.360 -9.151 1.058 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.538 -6.525 1.078 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.248 -6.893 1.190 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.639 -6.091 -1.230 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.207 -5.505 -0.711 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.943 -7.408 -2.656 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.341 -7.351 -1.600 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.523 -5.358 -0.747 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.946 -5.205 -0.469 1.00 0.00 C ATOM 1337 C HIS A 87 -2.617 -4.374 -1.556 1.00 0.00 C ATOM 1338 O HIS A 87 -2.337 -3.185 -1.703 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.155 -4.548 0.896 1.00 0.00 C ATOM 1340 CG HIS A 87 -1.368 -5.189 1.996 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -1.522 -6.510 2.363 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -0.413 -4.684 2.813 1.00 0.00 C ATOM 1343 CE1 HIS A 87 -0.697 -6.789 3.356 1.00 0.00 C ATOM 1344 NE2 HIS A 87 -0.014 -5.699 3.648 1.00 0.00 N ATOM 0 HA HIS A 87 -2.400 -6.196 -0.456 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.880 -3.495 0.829 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.215 -4.585 1.149 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.036 -3.672 2.809 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -0.598 -7.747 3.846 1.00 0.00 H new ATOM 0 HE2 HIS A 87 0.696 -5.622 4.376 1.00 0.00 H new ATOM 1353 N MET A 88 -3.500 -5.008 -2.321 1.00 0.00 N ATOM 1354 CA MET A 88 -4.203 -4.324 -3.400 1.00 0.00 C ATOM 1355 C MET A 88 -5.515 -3.721 -2.907 1.00 0.00 C ATOM 1356 O MET A 88 -6.352 -4.415 -2.329 1.00 0.00 O ATOM 1357 CB MET A 88 -4.471 -5.292 -4.555 1.00 0.00 C ATOM 1358 CG MET A 88 -3.588 -5.047 -5.768 1.00 0.00 C ATOM 1359 SD MET A 88 -4.466 -5.277 -7.325 1.00 0.00 S ATOM 1360 CE MET A 88 -3.877 -3.865 -8.257 1.00 0.00 C ATOM 0 H MET A 88 -3.745 -5.992 -2.214 1.00 0.00 H new ATOM 0 HA MET A 88 -3.568 -3.512 -3.755 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.320 -6.313 -4.205 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.516 -5.209 -4.853 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.192 -4.032 -5.725 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.734 -5.724 -5.734 1.00 0.00 H new ATOM 0 HE1 MET A 88 -4.447 -3.776 -9.182 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.003 -2.959 -7.664 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.821 -4.000 -8.493 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.687 -2.427 -3.148 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.898 -1.723 -2.738 1.00 0.00 C ATOM 1372 C PHE A 89 -7.519 -0.993 -3.923 1.00 0.00 C ATOM 1373 O PHE A 89 -6.831 -0.284 -4.657 1.00 0.00 O ATOM 1374 CB PHE A 89 -6.584 -0.732 -1.617 1.00 0.00 C ATOM 1375 CG PHE A 89 -6.063 -1.383 -0.368 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -6.933 -1.962 0.542 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.703 -1.417 -0.105 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -6.456 -2.562 1.692 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.221 -2.016 1.043 1.00 0.00 C ATOM 1380 CZ PHE A 89 -5.098 -2.590 1.943 1.00 0.00 C ATOM 0 H PHE A 89 -5.002 -1.842 -3.626 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.613 -2.458 -2.368 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.848 -0.012 -1.975 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.487 -0.172 -1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.996 -1.944 0.350 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.012 -0.970 -0.805 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.145 -3.009 2.394 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.159 -2.035 1.237 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.723 -3.059 2.840 1.00 0.00 H new ATOM 1390 N SER A 90 -8.822 -1.176 -4.111 1.00 0.00 N ATOM 1391 CA SER A 90 -9.528 -0.537 -5.216 1.00 0.00 C ATOM 1392 C SER A 90 -10.424 0.592 -4.717 1.00 0.00 C ATOM 1393 O SER A 90 -11.433 0.352 -4.055 1.00 0.00 O ATOM 1394 CB SER A 90 -10.365 -1.567 -5.976 1.00 0.00 C ATOM 1395 OG SER A 90 -9.865 -2.878 -5.775 1.00 0.00 O ATOM 0 H SER A 90 -9.409 -1.759 -3.515 1.00 0.00 H new ATOM 0 HA SER A 90 -8.783 -0.112 -5.889 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.402 -1.515 -5.643 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.359 -1.331 -7.040 1.00 0.00 H new ATOM 0 HG SER A 90 -10.418 -3.518 -6.270 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.053 1.824 -5.049 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.825 2.992 -4.644 1.00 0.00 C ATOM 1403 C PHE A 91 -11.969 3.238 -5.626 1.00 0.00 C ATOM 1404 O PHE A 91 -12.177 2.453 -6.551 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.919 4.222 -4.561 1.00 0.00 C ATOM 1406 CG PHE A 91 -9.041 4.236 -3.342 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -8.266 3.133 -3.013 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.991 5.350 -2.521 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.459 3.144 -1.890 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.189 5.367 -1.397 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.421 4.263 -1.080 1.00 0.00 C ATOM 0 H PHE A 91 -9.221 2.039 -5.598 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.250 2.806 -3.658 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.292 4.263 -5.452 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.537 5.120 -4.565 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.293 2.255 -3.642 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.587 6.217 -2.763 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.859 2.279 -1.646 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.162 6.243 -0.766 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.793 4.275 -0.202 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.716 4.319 -5.420 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.838 4.636 -6.298 1.00 0.00 C ATOM 1423 C ASN A 92 -14.101 6.139 -6.362 1.00 0.00 C ATOM 1424 O ASN A 92 -15.249 6.570 -6.468 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.098 3.910 -5.825 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.976 3.465 -6.978 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.762 3.857 -8.124 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.972 2.639 -6.679 1.00 0.00 N ATOM 0 H ASN A 92 -12.567 4.984 -4.661 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.576 4.299 -7.301 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.812 3.041 -5.233 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.669 4.568 -5.170 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -17.595 2.305 -7.414 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -17.113 2.339 -5.715 1.00 0.00 H new ATOM 1435 N ASN A 93 -13.039 6.935 -6.305 1.00 0.00 N ATOM 1436 CA ASN A 93 -13.174 8.386 -6.366 1.00 0.00 C ATOM 1437 C ASN A 93 -11.808 9.066 -6.381 1.00 0.00 C ATOM 1438 O ASN A 93 -10.801 8.469 -6.003 1.00 0.00 O ATOM 1439 CB ASN A 93 -13.999 8.895 -5.181 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.045 9.909 -5.600 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.390 10.014 -6.776 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -15.556 10.664 -4.634 1.00 0.00 N ATOM 0 H ASN A 93 -12.079 6.602 -6.217 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.690 8.635 -7.293 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.489 8.052 -4.693 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.333 9.346 -4.445 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.264 11.365 -4.855 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -15.241 10.543 -3.672 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.785 10.321 -6.818 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.546 11.086 -6.879 1.00 0.00 C ATOM 1451 C ARG A 94 -10.180 11.621 -5.499 1.00 0.00 C ATOM 1452 O ARG A 94 -9.015 11.598 -5.103 1.00 0.00 O ATOM 1453 CB ARG A 94 -10.678 12.242 -7.873 1.00 0.00 C ATOM 1454 CG ARG A 94 -11.906 13.109 -7.643 1.00 0.00 C ATOM 1455 CD ARG A 94 -11.866 14.366 -8.496 1.00 0.00 C ATOM 1456 NE ARG A 94 -13.205 14.831 -8.847 1.00 0.00 N ATOM 1457 CZ ARG A 94 -13.474 16.062 -9.275 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -12.500 16.954 -9.406 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -14.720 16.403 -9.574 1.00 0.00 N ATOM 0 H ARG A 94 -12.611 10.829 -7.135 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.751 10.422 -7.219 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -9.787 12.866 -7.811 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.714 11.837 -8.884 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -12.805 12.538 -7.876 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -11.967 13.384 -6.590 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -11.338 15.153 -7.957 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -11.300 14.169 -9.407 1.00 0.00 H new ATOM 0 HE ARG A 94 -13.980 14.173 -8.759 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.539 16.697 -9.178 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -12.712 17.896 -9.735 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -15.473 15.722 -9.476 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -14.926 17.347 -9.902 1.00 0.00 H new ATOM 1473 N THR A 95 -11.184 12.097 -4.771 1.00 0.00 N ATOM 1474 CA THR A 95 -10.987 12.630 -3.446 1.00 0.00 C ATOM 1475 C THR A 95 -10.576 11.530 -2.473 1.00 0.00 C ATOM 1476 O THR A 95 -9.646 11.699 -1.685 1.00 0.00 O ATOM 1477 CB THR A 95 -12.277 13.286 -2.990 1.00 0.00 C ATOM 1478 OG1 THR A 95 -13.132 13.539 -4.092 1.00 0.00 O ATOM 1479 CG2 THR A 95 -12.060 14.592 -2.275 1.00 0.00 C ATOM 0 H THR A 95 -12.152 12.120 -5.090 1.00 0.00 H new ATOM 0 HA THR A 95 -10.184 13.367 -3.468 1.00 0.00 H new ATOM 0 HB THR A 95 -12.728 12.578 -2.295 1.00 0.00 H new ATOM 0 HG1 THR A 95 -13.958 13.960 -3.775 1.00 0.00 H new ATOM 0 HG21 THR A 95 -13.022 15.007 -1.976 1.00 0.00 H new ATOM 0 HG22 THR A 95 -11.446 14.425 -1.390 1.00 0.00 H new ATOM 0 HG23 THR A 95 -11.554 15.291 -2.940 1.00 0.00 H new ATOM 1487 N VAL A 96 -11.275 10.401 -2.540 1.00 0.00 N ATOM 1488 CA VAL A 96 -10.981 9.269 -1.670 1.00 0.00 C ATOM 1489 C VAL A 96 -9.569 8.750 -1.918 1.00 0.00 C ATOM 1490 O VAL A 96 -8.877 8.337 -0.987 1.00 0.00 O ATOM 1491 CB VAL A 96 -11.992 8.123 -1.880 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -11.960 7.631 -3.317 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.720 6.982 -0.910 1.00 0.00 C ATOM 0 H VAL A 96 -12.048 10.246 -3.187 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.060 9.621 -0.642 1.00 0.00 H new ATOM 0 HB VAL A 96 -12.991 8.509 -1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.681 6.823 -3.441 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.215 8.451 -3.988 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.961 7.265 -3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.444 6.184 -1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.713 6.598 -1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.808 7.346 0.114 1.00 0.00 H new ATOM 1503 N MET A 97 -9.147 8.778 -3.178 1.00 0.00 N ATOM 1504 CA MET A 97 -7.815 8.315 -3.549 1.00 0.00 C ATOM 1505 C MET A 97 -6.751 9.275 -3.035 1.00 0.00 C ATOM 1506 O MET A 97 -5.650 8.865 -2.667 1.00 0.00 O ATOM 1507 CB MET A 97 -7.713 8.170 -5.072 1.00 0.00 C ATOM 1508 CG MET A 97 -6.287 8.063 -5.588 1.00 0.00 C ATOM 1509 SD MET A 97 -6.211 7.749 -7.362 1.00 0.00 S ATOM 1510 CE MET A 97 -6.485 9.397 -8.009 1.00 0.00 C ATOM 0 H MET A 97 -9.708 9.117 -3.959 1.00 0.00 H new ATOM 0 HA MET A 97 -7.646 7.341 -3.091 1.00 0.00 H new ATOM 0 HB2 MET A 97 -8.268 7.284 -5.380 1.00 0.00 H new ATOM 0 HB3 MET A 97 -8.195 9.027 -5.542 1.00 0.00 H new ATOM 0 HG2 MET A 97 -5.753 8.987 -5.363 1.00 0.00 H new ATOM 0 HG3 MET A 97 -5.773 7.261 -5.059 1.00 0.00 H new ATOM 0 HE1 MET A 97 -6.466 9.368 -9.098 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.455 9.763 -7.672 1.00 0.00 H new ATOM 0 HE3 MET A 97 -5.701 10.064 -7.650 1.00 0.00 H new ATOM 1520 N ASP A 98 -7.092 10.553 -3.014 1.00 0.00 N ATOM 1521 CA ASP A 98 -6.175 11.585 -2.547 1.00 0.00 C ATOM 1522 C ASP A 98 -6.111 11.609 -1.024 1.00 0.00 C ATOM 1523 O ASP A 98 -5.048 11.820 -0.442 1.00 0.00 O ATOM 1524 CB ASP A 98 -6.607 12.955 -3.073 1.00 0.00 C ATOM 1525 CG ASP A 98 -6.314 13.126 -4.551 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -5.142 12.952 -4.948 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -7.256 13.433 -5.311 1.00 0.00 O ATOM 0 H ASP A 98 -8.001 10.904 -3.316 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.181 11.353 -2.930 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.675 13.087 -2.900 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.094 13.735 -2.511 1.00 0.00 H new ATOM 1532 N ASN A 99 -7.256 11.394 -0.383 1.00 0.00 N ATOM 1533 CA ASN A 99 -7.329 11.394 1.075 1.00 0.00 C ATOM 1534 C ASN A 99 -6.434 10.311 1.669 1.00 0.00 C ATOM 1535 O ASN A 99 -5.661 10.567 2.590 1.00 0.00 O ATOM 1536 CB ASN A 99 -8.774 11.185 1.533 1.00 0.00 C ATOM 1537 CG ASN A 99 -9.692 12.303 1.078 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -9.234 13.377 0.686 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -10.995 12.056 1.129 1.00 0.00 N ATOM 0 H ASN A 99 -8.146 11.218 -0.850 1.00 0.00 H new ATOM 0 HA ASN A 99 -6.977 12.363 1.430 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -9.142 10.236 1.144 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -8.801 11.116 2.620 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.661 12.771 0.836 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -11.330 11.152 1.461 1.00 0.00 H new ATOM 1546 N ILE A 100 -6.547 9.099 1.136 1.00 0.00 N ATOM 1547 CA ILE A 100 -5.749 7.976 1.614 1.00 0.00 C ATOM 1548 C ILE A 100 -4.295 8.105 1.165 1.00 0.00 C ATOM 1549 O ILE A 100 -3.372 7.946 1.963 1.00 0.00 O ATOM 1550 CB ILE A 100 -6.320 6.633 1.108 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -7.740 6.427 1.646 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.416 5.471 1.508 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.788 6.093 3.121 1.00 0.00 C ATOM 0 H ILE A 100 -7.184 8.869 0.373 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.789 7.993 2.703 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.361 6.664 0.019 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.321 7.332 1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.219 5.625 1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.840 4.537 1.140 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.426 5.615 1.076 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.336 5.430 2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.825 5.961 3.431 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.235 5.172 3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.339 6.905 3.693 1.00 0.00 H new ATOM 1565 N LYS A 101 -4.102 8.385 -0.119 1.00 0.00 N ATOM 1566 CA LYS A 101 -2.764 8.524 -0.684 1.00 0.00 C ATOM 1567 C LYS A 101 -1.934 9.557 0.075 1.00 0.00 C ATOM 1568 O LYS A 101 -0.733 9.375 0.271 1.00 0.00 O ATOM 1569 CB LYS A 101 -2.854 8.915 -2.160 1.00 0.00 C ATOM 1570 CG LYS A 101 -1.501 9.006 -2.848 1.00 0.00 C ATOM 1571 CD LYS A 101 -1.520 10.023 -3.979 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.182 11.418 -3.479 1.00 0.00 C ATOM 1573 NZ LYS A 101 -0.400 12.192 -4.481 1.00 0.00 N ATOM 0 H LYS A 101 -4.858 8.521 -0.791 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.265 7.559 -0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.471 8.185 -2.684 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.360 9.877 -2.242 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.739 9.284 -2.120 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.225 8.028 -3.241 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.806 9.728 -4.747 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.505 10.031 -4.446 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.103 11.953 -3.245 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.612 11.344 -2.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.190 13.137 -4.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.490 11.695 -4.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.954 12.285 -5.356 1.00 0.00 H new ATOM 1587 N MET A 102 -2.574 10.648 0.489 1.00 0.00 N ATOM 1588 CA MET A 102 -1.879 11.708 1.213 1.00 0.00 C ATOM 1589 C MET A 102 -1.768 11.397 2.699 1.00 0.00 C ATOM 1590 O MET A 102 -0.752 11.684 3.332 1.00 0.00 O ATOM 1591 CB MET A 102 -2.594 13.046 1.011 1.00 0.00 C ATOM 1592 CG MET A 102 -3.956 13.122 1.683 1.00 0.00 C ATOM 1593 SD MET A 102 -3.859 13.689 3.391 1.00 0.00 S ATOM 1594 CE MET A 102 -4.348 15.402 3.209 1.00 0.00 C ATOM 0 H MET A 102 -3.568 10.820 0.336 1.00 0.00 H new ATOM 0 HA MET A 102 -0.869 11.773 0.809 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.963 13.846 1.398 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.716 13.224 -0.057 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.599 13.796 1.117 1.00 0.00 H new ATOM 0 HG3 MET A 102 -4.425 12.138 1.657 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.337 15.889 4.184 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.652 15.910 2.541 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.353 15.451 2.791 1.00 0.00 H new ATOM 1604 N THR A 103 -2.824 10.824 3.247 1.00 0.00 N ATOM 1605 CA THR A 103 -2.861 10.482 4.665 1.00 0.00 C ATOM 1606 C THR A 103 -1.925 9.323 4.983 1.00 0.00 C ATOM 1607 O THR A 103 -1.249 9.329 6.011 1.00 0.00 O ATOM 1608 CB THR A 103 -4.289 10.142 5.096 1.00 0.00 C ATOM 1609 OG1 THR A 103 -5.148 11.251 4.903 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.397 9.728 6.548 1.00 0.00 C ATOM 0 H THR A 103 -3.672 10.583 2.733 1.00 0.00 H new ATOM 0 HA THR A 103 -2.520 11.353 5.225 1.00 0.00 H new ATOM 0 HB THR A 103 -4.583 9.298 4.472 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.718 11.091 4.122 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.436 9.501 6.785 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.784 8.843 6.721 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.048 10.541 7.185 1.00 0.00 H new ATOM 1618 N LEU A 104 -1.881 8.330 4.106 1.00 0.00 N ATOM 1619 CA LEU A 104 -1.013 7.182 4.321 1.00 0.00 C ATOM 1620 C LEU A 104 0.442 7.627 4.356 1.00 0.00 C ATOM 1621 O LEU A 104 1.146 7.398 5.339 1.00 0.00 O ATOM 1622 CB LEU A 104 -1.228 6.127 3.233 1.00 0.00 C ATOM 1623 CG LEU A 104 -2.119 4.949 3.642 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -3.413 5.449 4.270 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -2.413 4.058 2.442 1.00 0.00 C ATOM 0 H LEU A 104 -2.430 8.296 3.247 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.265 6.731 5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.668 6.610 2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.256 5.739 2.926 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.585 4.357 4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.032 4.598 4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.183 6.041 5.155 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.952 6.066 3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.047 3.227 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.925 4.638 1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.478 3.670 2.039 1.00 0.00 H new ATOM 1637 N GLN A 105 0.883 8.288 3.288 1.00 0.00 N ATOM 1638 CA GLN A 105 2.253 8.787 3.211 1.00 0.00 C ATOM 1639 C GLN A 105 2.581 9.631 4.435 1.00 0.00 C ATOM 1640 O GLN A 105 3.735 9.713 4.855 1.00 0.00 O ATOM 1641 CB GLN A 105 2.455 9.607 1.935 1.00 0.00 C ATOM 1642 CG GLN A 105 1.453 10.738 1.771 1.00 0.00 C ATOM 1643 CD GLN A 105 1.537 11.397 0.409 1.00 0.00 C ATOM 1644 OE1 GLN A 105 1.763 12.603 0.302 1.00 0.00 O ATOM 1645 NE2 GLN A 105 1.356 10.606 -0.642 1.00 0.00 N ATOM 0 H GLN A 105 0.313 8.490 2.466 1.00 0.00 H new ATOM 0 HA GLN A 105 2.928 7.932 3.185 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.462 10.023 1.937 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.386 8.944 1.073 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.445 10.351 1.922 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.626 11.487 2.544 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.171 9.612 -0.506 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.402 10.992 -1.585 1.00 0.00 H new ATOM 1654 N GLN A 106 1.553 10.245 5.017 1.00 0.00 N ATOM 1655 CA GLN A 106 1.736 11.064 6.208 1.00 0.00 C ATOM 1656 C GLN A 106 2.276 10.207 7.343 1.00 0.00 C ATOM 1657 O GLN A 106 3.079 10.662 8.159 1.00 0.00 O ATOM 1658 CB GLN A 106 0.419 11.728 6.614 1.00 0.00 C ATOM 1659 CG GLN A 106 0.423 13.237 6.434 1.00 0.00 C ATOM 1660 CD GLN A 106 -0.946 13.786 6.086 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -1.925 13.540 6.791 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -1.022 14.537 4.994 1.00 0.00 N ATOM 0 H GLN A 106 0.591 10.190 4.684 1.00 0.00 H new ATOM 0 HA GLN A 106 2.456 11.852 5.987 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -0.392 11.301 6.023 1.00 0.00 H new ATOM 0 HB3 GLN A 106 0.210 11.495 7.658 1.00 0.00 H new ATOM 0 HG2 GLN A 106 0.777 13.708 7.351 1.00 0.00 H new ATOM 0 HG3 GLN A 106 1.128 13.503 5.647 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -0.185 14.716 4.439 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -1.917 14.935 4.710 1.00 0.00 H new ATOM 1671 N ILE A 107 1.846 8.954 7.364 1.00 0.00 N ATOM 1672 CA ILE A 107 2.297 8.003 8.371 1.00 0.00 C ATOM 1673 C ILE A 107 3.650 7.435 7.961 1.00 0.00 C ATOM 1674 O ILE A 107 4.534 7.222 8.791 1.00 0.00 O ATOM 1675 CB ILE A 107 1.288 6.850 8.550 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -0.040 7.384 9.092 1.00 0.00 C ATOM 1677 CG2 ILE A 107 1.853 5.780 9.472 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -1.120 7.496 8.039 1.00 0.00 C ATOM 0 H ILE A 107 1.182 8.570 6.692 1.00 0.00 H new ATOM 0 HA ILE A 107 2.382 8.529 9.322 1.00 0.00 H new ATOM 0 HB ILE A 107 1.106 6.396 7.576 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.388 6.728 9.890 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.126 8.365 9.536 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.126 4.976 9.585 1.00 0.00 H new ATOM 0 HG22 ILE A 107 2.773 5.380 9.045 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.066 6.216 10.448 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -2.033 7.881 8.494 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.792 8.176 7.252 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.314 6.513 7.611 1.00 0.00 H new ATOM 1690 N ILE A 108 3.796 7.212 6.660 1.00 0.00 N ATOM 1691 CA ILE A 108 5.033 6.687 6.093 1.00 0.00 C ATOM 1692 C ILE A 108 6.201 7.599 6.428 1.00 0.00 C ATOM 1693 O ILE A 108 7.218 7.163 6.969 1.00 0.00 O ATOM 1694 CB ILE A 108 4.923 6.576 4.561 1.00 0.00 C ATOM 1695 CG1 ILE A 108 3.647 5.831 4.177 1.00 0.00 C ATOM 1696 CG2 ILE A 108 6.144 5.894 3.978 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.530 5.539 2.695 1.00 0.00 C ATOM 0 H ILE A 108 3.065 7.389 5.971 1.00 0.00 H new ATOM 0 HA ILE A 108 5.201 5.699 6.522 1.00 0.00 H new ATOM 0 HB ILE A 108 4.875 7.582 4.144 1.00 0.00 H new ATOM 0 HG12 ILE A 108 3.607 4.891 4.727 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.785 6.420 4.491 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.041 5.828 2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.035 6.471 4.224 1.00 0.00 H new ATOM 0 HG23 ILE A 108 6.235 4.891 4.396 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.598 5.008 2.501 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.537 6.476 2.138 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.371 4.923 2.378 1.00 0.00 H new ATOM 1709 N SER A 109 6.037 8.871 6.094 1.00 0.00 N ATOM 1710 CA SER A 109 7.068 9.876 6.345 1.00 0.00 C ATOM 1711 C SER A 109 7.529 9.855 7.800 1.00 0.00 C ATOM 1712 O SER A 109 8.648 10.260 8.111 1.00 0.00 O ATOM 1713 CB SER A 109 6.549 11.270 5.984 1.00 0.00 C ATOM 1714 OG SER A 109 6.789 11.566 4.619 1.00 0.00 O ATOM 0 H SER A 109 5.196 9.236 5.646 1.00 0.00 H new ATOM 0 HA SER A 109 7.925 9.635 5.716 1.00 0.00 H new ATOM 0 HB2 SER A 109 5.480 11.328 6.189 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.035 12.016 6.612 1.00 0.00 H new ATOM 0 HG SER A 109 6.447 12.461 4.413 1.00 0.00 H new ATOM 1720 N ARG A 110 6.661 9.380 8.685 1.00 0.00 N ATOM 1721 CA ARG A 110 6.984 9.306 10.107 1.00 0.00 C ATOM 1722 C ARG A 110 8.215 8.437 10.341 1.00 0.00 C ATOM 1723 O ARG A 110 8.977 8.662 11.282 1.00 0.00 O ATOM 1724 CB ARG A 110 5.799 8.746 10.898 1.00 0.00 C ATOM 1725 CG ARG A 110 4.489 9.469 10.631 1.00 0.00 C ATOM 1726 CD ARG A 110 3.378 8.967 11.541 1.00 0.00 C ATOM 1727 NE ARG A 110 3.651 9.250 12.949 1.00 0.00 N ATOM 1728 CZ ARG A 110 4.342 8.443 13.752 1.00 0.00 C ATOM 1729 NH1 ARG A 110 4.841 7.301 13.293 1.00 0.00 N ATOM 1730 NH2 ARG A 110 4.538 8.780 15.019 1.00 0.00 N ATOM 0 H ARG A 110 5.730 9.041 8.445 1.00 0.00 H new ATOM 0 HA ARG A 110 7.199 10.317 10.454 1.00 0.00 H new ATOM 0 HB2 ARG A 110 5.677 7.691 10.654 1.00 0.00 H new ATOM 0 HB3 ARG A 110 6.025 8.803 11.963 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.627 10.540 10.780 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.200 9.327 9.590 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.436 9.434 11.254 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.256 7.892 11.405 1.00 0.00 H new ATOM 0 HE ARG A 110 3.290 10.120 13.341 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.696 7.036 12.319 1.00 0.00 H new ATOM 0 HH12 ARG A 110 5.369 6.689 13.915 1.00 0.00 H new ATOM 0 HH21 ARG A 110 4.160 9.657 15.378 1.00 0.00 H new ATOM 0 HH22 ARG A 110 5.067 8.163 15.635 1.00 0.00 H new ATOM 1744 N TYR A 111 8.401 7.442 9.480 1.00 0.00 N ATOM 1745 CA TYR A 111 9.538 6.533 9.593 1.00 0.00 C ATOM 1746 C TYR A 111 10.692 6.993 8.708 1.00 0.00 C ATOM 1747 O TYR A 111 11.859 6.756 9.020 1.00 0.00 O ATOM 1748 CB TYR A 111 9.125 5.109 9.212 1.00 0.00 C ATOM 1749 CG TYR A 111 7.683 4.784 9.536 1.00 0.00 C ATOM 1750 CD1 TYR A 111 7.253 4.675 10.853 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.751 4.590 8.524 1.00 0.00 C ATOM 1752 CE1 TYR A 111 5.936 4.381 11.151 1.00 0.00 C ATOM 1753 CE2 TYR A 111 5.432 4.296 8.814 1.00 0.00 C ATOM 1754 CZ TYR A 111 5.030 4.193 10.129 1.00 0.00 C ATOM 1755 OH TYR A 111 3.717 3.901 10.423 1.00 0.00 O ATOM 0 H TYR A 111 7.779 7.244 8.696 1.00 0.00 H new ATOM 0 HA TYR A 111 9.872 6.540 10.631 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.289 4.967 8.144 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.772 4.402 9.731 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.959 4.822 11.657 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.063 4.670 7.493 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.618 4.299 12.180 1.00 0.00 H new ATOM 0 HE2 TYR A 111 4.720 4.148 8.015 1.00 0.00 H new ATOM 0 HH TYR A 111 3.475 4.311 11.280 1.00 0.00 H new ATOM 1765 N LYS A 112 10.358 7.652 7.602 1.00 0.00 N ATOM 1766 CA LYS A 112 11.367 8.145 6.671 1.00 0.00 C ATOM 1767 C LYS A 112 12.324 9.108 7.366 1.00 0.00 C ATOM 1768 O LYS A 112 13.542 8.936 7.313 1.00 0.00 O ATOM 1769 CB LYS A 112 10.700 8.839 5.483 1.00 0.00 C ATOM 1770 CG LYS A 112 11.664 9.178 4.357 1.00 0.00 C ATOM 1771 CD LYS A 112 11.531 8.206 3.196 1.00 0.00 C ATOM 1772 CE LYS A 112 11.843 6.781 3.624 1.00 0.00 C ATOM 1773 NZ LYS A 112 13.282 6.604 3.961 1.00 0.00 N ATOM 0 H LYS A 112 9.397 7.857 7.329 1.00 0.00 H new ATOM 0 HA LYS A 112 11.939 7.291 6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 112 9.911 8.196 5.093 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.222 9.755 5.830 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.473 10.192 4.007 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.687 9.158 4.734 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.519 8.253 2.795 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.206 8.502 2.393 1.00 0.00 H new ATOM 0 HE2 LYS A 112 11.233 6.520 4.489 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.571 6.094 2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 13.674 5.815 3.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 13.801 7.476 3.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 13.378 6.397 4.976 1.00 0.00 H new